- Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: Access to the synthesis of chromeno[4,3-: B] pyrroles
-
A phosphine-catalyzed cascade (2+3)/(2+4) cyclization reaction of γ-vinyl allenoates with aldimine esters has been developed to provide a series of chromeno[4,3-b]pyrrole derivatives that contain three contiguous stereogenic centers. The method gives a good yield, excellent chemoselectivity and diastereoselectivity under mild conditions.
- Huang, You,Li, Xiaohu
-
supporting information
p. 9934 - 9937
(2021/10/12)
-
- Synthesis, characterization, and photochromism study of two spiropyran molecules with a terminal alkynyl functional group and their new 1,2,3-triazoline-containing derivatives
-
The spiropyran derivatives are known for their good photochromic properties. These photochromic compounds are isomerized between two forms; merocyanine is the open-ring form and spiropyran is the closed-ring form. In this work, two spiropyran derivatives (compounds 1 and 2) with the N-alkynyl functional group are prepared. The click reactions of these spiropyran derivatives with 1-azido-4-nitrobenzene and (azidomethyl)benzene are studied. For this purpose, 3,3-dimethyl-2-methylene-1-prop-2-ynyl-2,3-dihydro-1H-indole is synthesized, which is then reacted with 3- and 5-nitrosalicylaldehyde. The FT-IR, 1H-NMR, and 13C-NMR spectra of the reaction products are used for their characterization. The solutions of the products in methanol are prepared, and their UV–visible spectra are investigated. The darkening of the crystals of compound 1 upon exposure to the UV irradiation indicates that the spiro C–O bond in this compound is weaker than that in compound 2, which is due to the presence of the nitro group in the para position relative to this bond, and consequently, the stabilization of the open-ring form.
- Mahdavian, Ali Reza,Nasr-Isfahani, Hossein,Notash, Behrouz,Sepehr, Zeinalabedin
-
-
- Catalytic oxidation of alcohols and alkyl benzenes to carbonyls using Fe3O4?SiO2?(TEMPO)-: Co -(Chlorophyll-CoIII) as a bi-functional, self-co-oxidant nanocatalyst
-
Chlorophyll b was extracted from heliotropium europaeum plant, demetalated, allylated and grafted to acrylated TEMPO through a copolymerization protocol. Then, the chlorophyll monomers were coordinated to Co ions, immobilized on magnetic nanoparticles and the resulting hybrid was used as a powerful catalyst for a variety of oxidation reactions. By using the present method, oxidation of benzylic alcohols and alkyl benzenes to carbonyls was accomplished in water under aerobic conditions. Moreover, direct oxidation of alcohols to carboxylic acids was performed by adding NaOCl to the mixture. All entries were oxidized to the corresponding desired product with high to excellent yields and up to 97% selectivity. The catalyst was thoroughly characterized by CV, TGA, VSM, XRD, XPS, DLS, FE-SEM, TEM, UV-Vis, EDX, and BET analyses. The activity of the catalyst was investigated by applying various components of the catalyst to the oxidation model separately. The reasonable mechanisms are suggested based on the cooperation between the TEMPO groups and cobalt(iii) (or Co(iv)) sites on the catalyst. The catalyst could be recovered and reused for at least 7 consecutive recycles without any considerable reactivity loss. This journal is
- Hamah-Ameen, Baram Ahmed,Kazemnejadi, Milad,Mahmoudi, Boshra,Rostami, Amin
-
p. 6600 - 6613
(2020/11/16)
-
- Method for synthesizing mesalazine
-
A method for synthesizing mesalazine is disclosed. The method comprises the following steps: 1) adding p-nitrophenol, p-toluenesulfonic acid, absolute ethyl alcohol and hexamethylenetetramine, stopping heating after the reaction is finished, heating to room temperature while stirring with ice water, separating out solids, filtering, washing and drying to obtain 5-nitrosalicylaldehyde; 2) adding the 5-nitrosalicylaldehyde, potassium tert-butoxide, copper salt and acetonitrile, adding tert-butyl hydroperoxide while stirring, after the reaction is finished, performing vacuum concentration to remove the solvent, pouring cold water into residues, stirring, performing suction filtration, adjusting the pH value of the filtrate with hydrochloric acid, performing suction filtration, and drying to obtain 5-nitrosalicylic acid; and 3) adding stannous chloride dihydrate, concentrated hydrochloric acid, the 5-nitrosalicylic acid and ethanol, carrying out vacuum concentration after the reaction is finished, dissolving residues in water, adjusting the pH value with a concentrated hydrochloric acid solution, standing for crystallization, carrying out suction filtration, washing filter cake with water, and drying to obtain mesalazine. No isomer is generated, and the yield is high; the method does not need high-temperature and high-pressure conditions; the reaction cost is low; and raw materialsand auxiliary materials with high toxicity and heavy environmental pollution are not used.
- -
-
Paragraph 0011; 0037-0040
(2020/08/25)
-
- Method for synthesizing 5-nitrosalicylaldehyde
-
The invention discloses a method for synthesizing 5-nitrosalicylaldehyde. 5-nitrosalicylaldehyde is prepared by taking p-nitrophenol as a raw material and trifluoroacetic acid as a catalyst through animproved Duff reaction and hexamethylenetetramine reaction. Compared with a salicylaldehyde nitration method, the synthesis method provided by the invention effectively inhibits the generation of isomers in the synthesis process of 5-nitrosalicylaldehyde, and is convenient for separation and purification of a target product; the use of reaction raw materials with high toxicity and serious environmental pollution and high-temperature and high-pressure reaction conditions are avoided, the reaction conditions are mild, the post-treatment process is simple, the synthesis reaction efficiency is improved, and the yield of the 5-nitrosalicylaldehyde reaches 63% or above.
- -
-
Paragraph 0020; 0023-0039
(2020/10/04)
-
- Fe3O4@SiO2@Im[Cl]Mn(III)-complex as a highly efficient magnetically recoverable nanocatalyst for selective oxidation of alcohol to imine and oxime
-
An efficient and environmentally friendly oxidation process for the one-pot preparation of oxime, imine and carbonyl compounds through alcohol oxidation in the presence of H2O2 and/or O2 have been developed by a melamine-Mn(III) Schiff base complex supported on Fe3O4@SiO2–Cl nanoparticles, named as Fe3O4@SiO2@Im[Cl]Mn(III)-complex nanocomposite, at room temperature. Direct oxidation of alcohol to carboxylic acid was performed using the catalyst in the presence of molecular O2 at room temperature in a different approach. The oxidation products were obtained with excellent yields and high TOFs. The properties of the catalyst were characterized by Fourier transform infrared spectroscopy (FTIR), elemental analysis (C, H, N), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), dynamic light scattering (DLS), energy dispersive X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS), inductive coupled plasma (ICP), cyclic voltammetry (CV), nuclear magnetic resonance (1H & 13C NMR), vibration sample magnetometer (VSM), Brunauer– Emmett–Teller (BET) and differential pulse voltammetry (DPV) analyses. The mechanism of the oxidation processes was investigated for the both H2O2 and O2 oxidants. The role of the imidazolium moiety in the catalyst as a secondary functionality was investigated. Chemoselectivity behavior of the catalyst was studied by some combinations. The catalyst could be recycled from the reaction mixture by a simple external magnet and reused for several times without any considerable reactivity loss.
- Kazemnejadi, Milad,Alavi, Seyyedeh Ameneh,Rezazadeh, Zinat,Nasseri, Mohammad Ali,Allahresani, Ali,Esmaeilpour, Mohsen
-
p. 230 - 249
(2019/03/28)
-
- Design, synthesis and preliminary biological evaluation of benzylsulfone coumarin derivatives as anti-cancer agents
-
In this work, a series of benzylsulfone coumarin derivatives 5a-5o were synthesized and characterized. Kinase inhibitory activity assay indicated that most of the compounds showed considerable activity against PI3K. Anti-tumor activity studies of the active compounds were also carried out in vitro on the Hela, HepG2, H1299, HCT-116, and MCF-7 tumor cell lines by MTS assay. The structure-activity relationships (SARs) of these compounds were analyzed in detail. Compound 5h exhibited the most potent activities against the mentioned cell lines with IC50 values ranging from 18.12 to 32.60 μM, followed by 5m with IC50 values of 29.30-42.14 μM. Furthermore, 5h and 5m clearly retarded the migration of Hela cells in vitro. Next, an in silico molecular docking study was conducted to evaluate the binding models of 5h and 5m towards PI3Kαand PI3Kβ. Collectively, the above findings suggested that compounds 5h and 5m might be promising PI3K inhibitors deserving further investigation for cancer treatment.
- Wang, Tao,Peng, Tao,We, Xiaoxue,Wang, Gang,Sun, Yunbo,Liu, Shuchen,Zhang, Shouguo,Wang, Lin
-
supporting information
(2019/11/20)
-
- Light-activated cycle-reversible intramolecular charge transfer fluorescent probe: Monitoring of pHi trace change induced by UV light in programmed cell death
-
Under the synergistic effects of protonation and deprotonation, a light-activated fluorescent probe (UV-SP) exhibited cycle-reversible intramolecular charge transfer (ICT) for different pH after activation by UV light, resulting in emission of multiple ratio fluorescent signals (FI563/FI595 and FI664/FI595). Based on these kinds of response signals, UV-SP can specifically monitor the cycle-reversible trace change of intracellular pH caused by UV radiation. More importantly, according to the stable and invariant multiple ratio fluorescent signals, UV-SP can sort cells entering programmed death.
- Jiang, Tao,Wang, Xin,Wang, Ge,Wang, Yafu,Wang, Kui,Xuan, Xiaopeng,Chen, Changpo,Jiang, Kai,Zhang, Hua
-
supporting information
p. 5279 - 5282
(2019/05/08)
-
- Co-immobilization of Laccase and TEMPO in the Compartments of Mesoporous Silica for a Green and One-Pot Cascade Synthesis of Coumarins by Knoevenagel Condensation
-
Co-immobilization of bio- and chemocatalysts produces sustainable, recyclable hybrid systems that open new horizons for green cascade approaches in organic synthesis. Here, the co-immobilization of laccase and 2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPO) in mesoporous silica was used for the one-pot aqueous synthesis of 30 coumarin-3-carboxylate derivatives under mild conditions through the condensation of in situ oxidized 2-hydroxybenzyl alcohols and malonate derivatives. A maximum yield was obtained after incubating at pH 6.0 and 45 °C for 24 h. An efficient organic synthesis was catalyzed by the hybrid catalyst in 10 % organic solvent. More than 95 % of the initial activity of the enzyme was preserved after 10 cycles, and no significant catalyst deactivation occurred after 10 runs. This new system efficiently catalyzed the in situ aerobic oxidation of salicyl alcohols, followed by Knoevenagel condensation, which confirmed the possibility of producing efficient hybrid catalysts by co-immobilization of catalytic species in mesoporous materials.
- Mogharabi-Manzari, Mehdi,Amini, Mohsen,Abdollahi, Mohammad,Khoobi, Mehdi,Bagherzadeh, Ghodsieh,Faramarzi, Mohammad Ali
-
p. 1542 - 1546
(2018/02/28)
-
- Method of catalytically preparing 5-nitrosalicylaldehyde from heteropolyacid acidic ionic liquid
-
The invention discloses a method of catalytically preparing 5-nitrosalicylaldehyde from a heteropolyacid acidic ionic liquid. According to the method, p-nitrophenol and hexamethylene tetramine are taken as the raw materials, a heteropolyacid acidic ionic liquid is taken as the catalyst to carry out reactions to prepare 5-nitrosalicylaldehyde; the yield of 5-nitrosalicylaldehyde can reach 90% or more, and the HPLC purity can reach 98.5%.
- -
-
Paragraph 0025; 0029-0034; 0038-0042
(2019/01/04)
-
- Preparation method of 5-nitryl salicylaldehyde
-
The invention discloses a preparation method of 5-nitryl salicylaldehyde. The 5-nitryl salicylaldehyde is prepared from p-nitrophenol and hexamine as raw materials in the presence of an acidic imidazole ionic liquid catalyst. The yield of the obtained 5-nitryl salicylaldehyde can reach over 86%, and the purity HPLC can reach 98.5%.
- -
-
Paragraph 0026-0041; 0042-0050
(2019/01/08)
-
- Design and synthesis of novel Vitamin D-coumarin hybrids using microwave irradiation
-
A series of novel vitamin D-coumarin hybrids were synthesised by esterification of the corresponding coumarin-3-carboxylic acids and vitamin D or vitamin D CD-ring alcohol in CH2Cl2 under microwave irradiation. They were obtained in higher yields (from 64-81% up to 79-87%) and shorter reaction time (from 3 h down to 15 min), compared with earlier conventional methodologies. The structures of all the target compounds were confirmed by 1H NMR, 13C NMR and HRMS. This provides an attractive and alternative method for the preparation of high-value vitamin D-coumarin hybrids.
- Zhang, Hengrui,Fang, Zhijie
-
p. 684 - 687
(2018/01/08)
-
- Direct preparation of oximes and Schiff bases by oxidation of primary benzylic or allylic alcohols in the presence of primary amines using Mn(III) complex of polysalicylaldehyde as an efficient and selective heterogeneous catalyst by molecular oxygen
-
The present work introduced the new strategy for direct preparation of Schiff base as well as oxime compounds through oxidation of primary benzylic or allylic alcohols in the presence of amines by complexation of Mn(III) to a polymeric Schiff base ligand based on polysalicylaldehyde (PSA-Schiff base-Mn(III) complex). As a new environmentally benign protocol, manganese heterogeneous polymeric catalytic system demonstrated promising oxidation of alcohols in ethanol using molecular oxygen. PSA was synthesized through polycondensation reaction of 2-hydroxy-5-chloromethyl-benzaldehyde and then treated with 2-aminophenol to form polymeric ligand. Average molecular weight of PSA was studied by an analytical method as well as GPC analysis. Formation of the catalyst was characterized step by step by FTIR, UV–Vis, 1H NMR, TGA, CHN and EDX analyses. Loading amounts of metal ions as well as leaching amount of the catalysis were studied by ICP-OES instrument. The catalyst shows up to high yields for oxidation of primary and secondary primary benzylic or allylic alcohols to carbonyl compounds, especially direct imine formation in a mild, inexpensive and efficient method which can be successfully recovered from the reaction mixture and reused for several times without any remarkable reactivity loss. Effect of solvent, temperature, catalyst amount and oxygen donors along with some blank experiments to elucidation of catalyst activity was evaluated in this work. Also chemoselectivity behavior of the catalyst was investigated with some combinations.
- Kazemnejadi, Milad,Shakeri, Alireza,Mohammadi, Mohammad,Tabefam, Marzieh
-
p. 1917 - 1933
(2017/08/15)
-
- Magnetic substance and magnetic substance manufacturing method
-
[object] A magnetization technique that enhances magnetic properties of an organic compound is provided without damaging properties of the organic compound or while maintaining the structure of the organic compound. [solution] The present disclosure is a method for manufacturing a magnetic substance composed of crystals of a magnetization target compound and an electron acceptor by combining the magnetization target compound with the electron acceptor; forming a solution by dissolving a mixture of the magnetization target compound and the electron acceptor in a solvent; maintaining the solution in a very low temperature state and allowing the solution to deposit the crystals of the magnetic target compound and the electron acceptor; and separating the crystals from the solvent.
- -
-
Page/Page column 9
(2017/11/01)
-
- IRON-SALEN COMPLEX
-
The present invention provides a drug delivery system that overcomes conventional technical problems and that is readily put to practical use. Iron-salen complexes represented by General Formula (I) below. The invention renders iron-salen complexes magnetic, which can thus be used as drugs that can be delivered to affected areas in the body using the inherent magnetic properties of the drug without employing carriers composed of magnetic substances as has been done hitherto.
- -
-
Paragraph 0084; 0085; 0094; 0095
(2016/08/07)
-
- Synthesis and bioevaluation of 2-phenyl-5-methyl-2H-1,2,3-triazole-4-carboxylic acid/carbohydrazide derivatives as potent xanthine oxidase inhibitors
-
A series of 2-phenyl-5-methyl-2H-1,2,3-triazole-4-carboxylic acids/carbohydrazides as analogues of febuxostat were synthesized and evaluated for their in vitro xanthine oxidase (XO) inhibitory activity. Among these compounds, the carboxylic acid derivatives 7a-h and 8a-h exhibited high potency in the submicromolar/nanomolar range. Steady-state kinetics experiment revealed that 7f was a mixed-type inhibitor of xanthine oxidase. In addition, a molecular docking study of 7f was performed to determine its binding mode at the active site of xanthine oxidase.
- Shi, Ailong,Wang, Defa,Wang, He,Wu, Yue,Tian, Haiqiu,Guan, Qi,Bao, Kai,Zhang, Weige
-
p. 114879 - 114888
(2016/12/24)
-
- Transition Metal Ions as Efficient Catalysts for Vilsmeier-Haack Formylation of Hydrocarbons with Reagents: Kinetics and Mechanism
-
The Vilsmeier-Haack formylation reactions with hydrocarbons are sluggish in acetonitrile medium. The VH reactions follows second-order kinetics and affords formyl derivatives under kinetic conditions that are also irrespective of the nature of the oxychloride (POCl3 or SOCl2) used for the preparation of VH reagent along with DMF. However, the reactions undergo significant rate accelerations in the presence of transition metal ions such as Cu(II), Ni(II), Co(II) and Cd(II). Transition metal ion catalyzed VH formylation is explained through the formation of a mixed ligand complex of the [M(II)S(VHR)] type prior to the rate determining rearrangement step, before yielding formyl derivatives of hydrocarbons.
- Rajanna,Ferdose, Aneesa,Rajendar Reddy,Arifuddin,Moazzam Ali
-
p. 371 - 394
(2016/03/12)
-
- A 5 - nitro salicylaldehyde (by machine translation)
-
The invention discloses a clean environment protection of 5 - nitro salicylaldehyde, to the salicylaldehyde as raw materials, nitric acid as nitrating agent, a modified sodium tungstate catalytic by forming the target product 5 - nitro salicylaldehyde. The conversion of this invention, high selectivity, and adopt the novel modified catalyst, less of the waste acid, environmental protection. (by machine translation)
- -
-
Paragraph 0019; 0020
(2017/01/26)
-
- MAGNETIC SUBSTANCE
-
The present disclosure relates to a ferromagnetic substance containing a crystal of a metal complex molecule in which a heterocycle is bonded to metal, the metal of the metal complex molecule is bonded to the metal of another metal complex via oxygen as a electron donor, and the ferromagnetic substance has a ferromagnetic property balanced with stability of crystals based on a metal—electron donor—metal bond angle that is from 130° to 160°. The present disclosure also relates to a drug containing, as a principal component, the crystal of the metal complex molecule.
- -
-
Paragraph 0033
(2015/12/05)
-
- Iron-salen complexes, magnetic drug, chemical induction system, and a magnetic detecting device
-
PROBLEM TO BE SOLVED: To realize, by solving technical problems of the prior art, a drug delivery system which can be easily implemented practically.SOLUTION: The provided iron-salen complex is expressed by the following formula (1). Since the iron-salen complex per se can potentially be magnetic, it becomes possible, in a case where the same is used as a pharmaceutical, to guide the pharmaceutical to an affected site inside a patient's body by taking advantage of the magnetic property borne by the pharmaceutical per se without using carriers consisting of magnets, as in the prior art.
- -
-
Paragraph 0021; 0022; 0023
(2016/12/07)
-
- Potent antimicrobial agents against azole-resistant fungi based on pyridinohydrazide and hydrazomethylpyridine structural motifs
-
Abstract Schiff base derivatives have recently been shown to possess antimicrobial activity, and these derivatives include a limited number of salicylaldehyde hydrazones. To further explore this structure-activity relationship between salicylaldehyde hydrazones and antifungal activity, we previously synthesized and analyzed a large series of salicylaldehyde and formylpyridinetrione hydrazones for their ability to inhibit fungal growth of both azole-susceptible and azole-resistant species of Candida. While many of these analogs showed excellent growth inhibition with low mammalian cell toxicity, their activity did not extend to azole-resistant species of Candida. To further dissect the structural features necessary to inhibit azole-resistant fungal species, we synthesized a new class of modified salicylaldehyde derivatives and subsequently identified a series of modified pyridine-based hydrazones that had potent fungicidal antifungal activity against multiple Candida spp. Here we would like to present our synthetic procedures as well as the results from fungal growth inhibition assays, mammalian cell toxicity assays, time-kill assays and synergy studies of these novel pyridine-based hydrazones on both azole-susceptible and azole-resistant fungal species.
- Backes, Gregory L.,Jursic, Branko S.,Neumann, Donna M.
-
p. 3397 - 3407
(2015/08/03)
-
- A novel series of 6-substituted 3-(pyrrolidin-1-ylmethyl)chromen-2-ones as selective monoamine oxidase (MAO) A inhibitors
-
A series of 6-substituted 3-(pyrrolidin-1-ylmethyl)chromen-2-ones (coumarins) have been synthesized and their inhibitory activity to human monoamine oxidase A (MAO A) and B (MAO B) determined. Incorporation of a basic amino function in the C3 position together with substitution at the C6 position produced novel coumarin compounds with selectivity for the MAO A subtype. Substitution in the C6 position with small hydrophilic groups such as hydroxy (19, IC50 = 1.46 μM) or amino (18, IC50 = 3.77 μM) gave the most potent and selective compounds for MAO A. These compounds also showed excellent aqueous solubility properties. Compound 18 [6-amino-3- (pyrrolidin-1-ylmethyl)chromen-2-one] administrated in vivo induced in rat brain a neurotransmitter metabolite profile typical of MAO A inhibition: decreased 3,4-dihydroxyphenylacetic acid (DOPAC) and 5-hydroxyindoleacetic acid (5-HIAA) but increased 3-methoxytyramine (3-MT) levels.
- Mattsson, Cecilia,Svensson, Peder,Sonesson, Clas
-
p. 177 - 186
(2014/01/23)
-
- AUTO-MAGNETIC METAL SALEN COMPLEX COMPOUND
-
The molecular structures of metal-salen complexes which exerts pharmacological effects are clarified and the metal-salen complexes having such molecular structures and their derivatives are provided. A metal-salen complex compound is characterized in that a metal atom part in each of multiple molecules of the metal-salen complex or its derivative is multimerized via water.
- -
-
Paragraph 0041; 0042
(2014/01/18)
-
- METAL SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC, AND ANTI-MALIGNANT TUMOR AGENT
-
A metal-salen complex compound, which exhibits excellent noninvasiveness and can be efficiently transferred to an affected site, a local anesthetic containing this metal-salen complex compound, and an antineoplastic drug containing this metal-salen complex compound are provided. Regarding the metal-salen complex compound, a metal atom part in each of two molecules of a metal-salen complex or a derivative of the metal-salen complex is dimerized via water, and the metal-salen complex compound is mixed with a base to produce an ointment.
- -
-
Paragraph 0150
(2014/06/24)
-
- MAGNETIC COMPOSITION, AND METHOD FOR PRODUCING SAME
-
A magnetic composition containing a metal-salen complex compound which can be securely guided by a magnetic field to a target area to be preferably treated, and a method for producing the magnetic composition are provided. The magnetic composition is prepared by dispersing magnetic particles, which are obtained by coating a metal-salen complex compound with a dispersant, in a polar solvent by means of the dispersant. Furthermore, the magnetic composition production method includes a first step of mixing the metal-salen complex compound with the dispersant in an organic solvent and coating the metal-salen complex compound with the dispersant and a second step of dispersing the metal-salen complex in a polar solvent.
- -
-
Paragraph 0024
(2014/09/29)
-
- Design, synthesis, biological evaluation of substituted benzofurans as DNA gyraseB inhibitors of Mycobacterium tuberculosis
-
DNA gyrase of Mycobacterium tuberculosis (MTB) is a type II topoisomerase and is a well-established and validated target for the development of novel therapeutics. By adapting the medium throughput screening approach, we present the discovery and optimization of ethyl 5-(piperazin-1-yl) benzofuran-2- carboxylate series of mycobacterial DNA gyraseB inhibitors, selected from Birla Institute of Technology and Science (BITS) database chemical library of about 3000 molecules. These compounds were tested for their biological activity; the compound 22 emerged as the most active potent lead with an IC50 of 3.2 ± 0.15 μM against Mycobacterium smegmatis DNA gyraseB enzyme and 0.81 ± 0.24 μM in MTB supercoiling activity. Subsequently, the binding of the most active compound to the DNA gyraseB enzyme and its thermal stability was further characterized using differential scanning fluorimetry method.
- Renuka, Janupally,Reddy, Kummetha Indrasena,Srihari, Konduri,Jeankumar, Variam Ullas,Shravan, Morla,Sridevi, Jonnalagadda Padma,Yogeeswari, Perumal,Babu, Kondra Sudhakar,Sriram, Dharmarajan
-
p. 4924 - 4934
(2014/10/16)
-
- Vanadium pentoxide as a catalyst for regioselective nitration of organic compounds under conventional and nonconventional conditions
-
Vanadium pentoxide is used as an efficient catalyst for regioselective nitration of aromatic compounds under conventional and nonconventional conditions such as ultrasonically assisted (USAR) and microwave-assisted reactions (MWAR). The reactions underwent smoothly and afforded good yields of products with high regioselectivity. Observed longer reaction times (about 8 h) in V2O5 catalyzed reactions reduced to (0.5/30 min) under sonication and (90 s) in the case of MWAR. When ortho position is blocked, para derivatives are obtained as end products while ortho nitro products are obtained when para position is blocked.
- Venkatesham,Reddy, K. Rajendar,Rajanna,Veerasomaiah
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p. 921 - 926
(2014/04/03)
-
- An efficient synthesis and biological screening of benzofuran and benzo[d]isothiazole derivatives for Mycobacterium tuberculosis DNA GyrB inhibition
-
A series of twenty eight molecules of ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate and 3-(piperazin-1-yl)benzo[d]isothiazole were designed by molecular hybridization of thiazole aminopiperidine core and carbamide side chain in eight steps and were screened for their in vitro Mycobacterium smegmatis (MS) GyrB ATPase assay, Mycobacterium tuberculosis (MTB) DNA gyrase super coiling assay, antitubercular activity, cytotoxicity and protein-inhibitor interaction assay through differential scanning fluorimetry. Also the orientation and the ligand-protein interactions of the top hit molecules with MS DNA gyrase B subunit active site were investigated applying extra precision mode (XP) of Glide. Among the compounds studied, 4-(benzo[d]isothiazol-3-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide (26) was found to be the most promising inhibitor with an MS GyrB IC50 of 1.77 ± 0.23 μM, 0.42 ± 0.23 against MTB DNA gyrase, MTB MIC of 3.64 μM, and was not cytotoxic in eukaryotic cells at 100 μM. Moreover the interaction of protein-ligand complex was stable and showed a positive shift of 3.5 °C in differential scanning fluorimetric evaluations.
- Reddy, Kummetha Indrasena,Srihari, Konduri,Renuka, Janupally,Sree, Komanduri Shruthi,Chuppala, Aruna,Jeankumar, Variam Ullas,Sridevi, Jonnalagadda Padma,Babu, Kondra Sudhakar,Yogeeswari, Perumal,Sriram, Dharmarajan
-
p. 6552 - 6563
(2015/02/18)
-
- Synthesis and studies of photochromic properties of spirobenzopyran carboxy derivatives and their model compounds as potential markers
-
A number of photochromic markers, viz., spirobenzopyrans containing one or two active carboxy groups attached directly or through a spacer, as well as their model derivatives, were synthesized. The obtained compounds were characterized by instrumental methods of analysis. Spectrokinetic methods were used to study the behavior of the spirobenzopyran markers and the model derivatives in solutions in EtOH and toluene.
- Laptev,Lukin,Belikov,Zvezdin,Demina,Barachevsky,Varfolomeev,Khodonov,Shvets
-
p. 2026 - 2035
(2015/06/08)
-
- ANTI-BRAIN-TUMOR DRUG
-
A drug containing a metal-salen complex compound which is effective for a brain tumor is provided. The present invention is an anti-brain-tumor drug containing a metal-salen complex compound represented by the following Chemical Formula (I). In the formula, M represents a metal atom which is Fe, Cr, Mn, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir, Pt, Nd, Sm, Eu, or Gd, and X represents a halogen atom.
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-
Paragraph 0017; 0018
(2013/03/26)
-
- FLUORESCENT DYE MATERIAL AND USE THEREOF
-
It is an object of the present invention to extend the usefulness of an iron-salen complex. The present invention is a new fluorochrome material containing Chemical Formula (I) below. However, M is Fe, Cr, Mn, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir, Pt, Nd, Sm, Eu, or Gd. Chemical Formula (I) N,N'-Bis(salicylidene)ethylenediamine metal
- -
-
Paragraph 0041; 0042
(2013/04/23)
-
- METAL-SALEN COMPLEX COMPOUND AND PRODUCTION METHOD FOR SAME
-
The present invention provides a metal-salen complex compound having a controlled grain size that enables the metal-salen complex compound to exert its pharmacological effects as a medicine, at a target region. This metal-salen complex compound is composed of the following that has a crystal grain size of 8 μm or less, and that is represented by the chemical formula below. N,N'-Bis(salicylidene)ethylenediamine metal M is Fe, Cr, Mn, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir, Pt, Nd, Sm, Eu, or Gd.
- -
-
Paragraph 0038
(2013/11/19)
-
- Cu(OAc)2·H2O-promoted tandem β-alkynyl elimination of α-or β-hydroxy propargylic alcohols and homocoupling of the resulting alkynyl species
-
α or β-hydroxy propargylic alcohols undergo tandem C(sp)-C(sp3) bond cleavage via β-alkynyl elimination and homocoupling of the resulted alkynyl species in the presence of Cu(OAc)2·H2O to produce the corresponding hydroxycarbonyl com
- Xu, Xiangsheng,Huang, Zhenyong,Lu, Yanfeng
-
p. 546 - 549
(2013/10/22)
-
- Phosphonium salts and aldehydes from the convenient, anhydrous reaction of aryl acetals and triphenylphosphine hydrobromide
-
The reactions of aryl acetals/ketals and triphenylphosphine hydrobromide gave the corresponding aldehydes/ketones and alkyl phosphonium bromides. This reaction was applied to convert acetals/ketals to the corresponding aldehydes/ketones under an anhydrous
- Ramanathan, Mani,Hou, Duen-Ren
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- Synthesis of chromones through LiOtBu/air-mediated oxidation and regioselective cyclization of o-hydroxyphenyl propargyl carbinols
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A cascade oxidative cyclization reaction for the synthesis of chromone derivatives was developed by using LiOtBu as a mediator and air as an oxidant. The reaction was carried out without the assistance of a transition metal under mild conditions to afford the chromones in good yields with high regioselectivities. A tandem reaction for the synthesis of various chromones was developed. LiOtBu was used as a mediator and air was used as a clean oxidant. The reaction generally showed high regioselectivity under mild conditions. Extensive research showed that dehydrogenative oxidation of the alcohols under strongly basic conditions was the crucial step, and Li+ was also found to play an important role in this process. Copyright
- Zhang, Shuai,Wan, Changfeng,Wang, Qiang,Zhang, Baiqun,Gao, Lingfeng,Zha, Zhenggen,Wang, Zhiyong
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supporting information
p. 2080 - 2083
(2013/05/09)
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- Oxalylchloride/DMF as an efficient reagent for nitration of aromatic compounds and nitro decarboxylation of cinnamic acids in presence of KNO 3 or NaNO2 under conventional and nonconventional conditions
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Nitration of aromatic compounds and cinnamic acids with oxalylchloride/DMF afforded the corresponding nitro derivatives in the presence of KNO3 or NaNO2 under conventional and nonconventional (ultrasonic and microwave) conditions. The present methodology offers several benefits such as excellent yields, simple work-up procedure, and short reaction times. The yields obtained under present methodology are comparable with those obtained from (POCl3/DMF/KNO3 or NaNO2) and (SOCl 2/DMF/KNO3 or NaNO2) systems followed by shorter reaction times. The reaction times of sonication and microwave conditions are very shorter than those of the conventional conditions.
- Kumar, M. Satish,Reddy, K. Rajendar,Rajanna,Venkanna,Krishnaiah
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p. 977 - 983
(2013/06/05)
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- Nitration under continuous flow conditions: Convenient synthesis of 2-isopropoxy-5-nitrobenzaldehyde, an important building block in the preparation of nitro-substituted Hoveyda-Grubbs metathesis catalyst
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Herein, we describe the use of continuous flow chemistry for selective, efficient and reproducible nitration of 2-isopropoxybenzaldehyde to produce the desired 2-isopropoxy-5-nitrobenzaldehyde, an important building block in the preparation of a ligand of nitro-substituted Hoveyda-Grubbs metathesis catalyst. Nitration was done with red fuming HNO3, and this challenging and hazardous process was performed using a flow-through silicon-glass microreactor equipped with a set of temperature sensors, and with a productivity of 13 g/h, providing us with a reproducible chemical process amenable for production of sufficient quantities of 2-isopropoxy-5-nitrobenzaldehyde for ongoing large-scale synthesis of nitro-substituted Hoveyda-Grubbs metathesis catalyst.
- Knapkiewicz, Pawel,Skowerski, Krzysztof,Jaskolska, Dagmara E.,Barbasiewicz, Michal,Olszewski, Tomasz K.
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p. 1430 - 1435
(2012/11/07)
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- Steric and substituent control on the photoreversibility of some novel N-alkyl-3,3′-disubstituted-6-nitro-indolospirobenzopyrans: Evaluation using UV spectroscopic studies
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A series of novel 6-nitro substituted indolospirobenzopyrans are reported. The effects of substitution on their photoreversibility are investigated by: synthesising derivatives that possess sterically hindering (with regard to the spiropyran-opening ? closing) groups contained within the spirocyclic skeleton. Specifically, spirobenzopyrans possessing combinations of various N-alkyl, and/or, simultaneously, 3,3′-geminal methyl and/or cyclohexyl groups are synthesised. Further, these systems are evaluated in three solvents; methanol, acetonitrile and dichloroethane. The thermal decolourisation rates of the gem-dimethyl and 3,3′-cyclohexyl compounds are additionally evaluated at the temperature of 50 °C. The above systems, and changes in physical parameters are extensively evaluated, and the subsequent biasing of the equilibria established using UV spectroscopy. Rates of colourisation, decolourisation and the equilibrium constants are obtained. The overall photochromic 'tuneability' of these systems is subsequently established.
- Roxburgh, Craig J.,Sammes, Peter G.,Abdullah, Ayse
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experimental part
p. 146 - 162
(2011/12/04)
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- AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND
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The present invention provides a drug using the magnetic properties of a metal salen complex as represented by the following general formula in order to magnetize the intended drug by chemically binding the drug to a metal salen complex so that the drug can be delivered to the target diseased site. The drug can be delivered to the diseased site using the magnetic properties of the drug per se without using a carrier made of a magnetic substance as in the conventional methods.
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Page/Page column 43
(2011/09/14)
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- Ethylammonium nitrate (EAN)/Tf2O and EAN/TFAA: Ionic liquid based systems for aromatic nitration
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Acting as in situ sources of triflyl nitrate (TfONO2) and trifluoroacetyl nitrate (CF3COONO2), the EAN/Tf 2O and EAN/TFAA systems, generated via metathesis in the readily available ethylammonium nitrate (EAN) ionic liquid as solvent, are powerful electrophilic nitrating reagents for a wide variety of aromatic and heteroaromatic compounds. Comparative nitration experiments indicate that EAN/Tf2O is superior to EAN/TFAA for nitration of strongly deactivated systems. Both systems exhibit low substrate selectivity (K T/KB = 5-10) in (Figure presented) between values reported for covalent nitrates and preformed nitronium salts.
- Aridoss, Gopalakrishnan,Laali, Kenneth K.
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experimental part
p. 8088 - 8094
(2011/11/13)
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- Nitration of phenolic compounds by antimony nitrate
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Antimony nitrate is new compound to be an efficient nitration reagent in the nitration of phenolic compounds with high yields. This producerworks efficiently onmost of the examples, as a grinding nitration reaction, proceed very fast (~1 min) and thermogenic. Copyright Taylor & Francis Group, LLC.
- Jirandehi, Hassan Fathinejad,Mirzaeian, Marjan
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experimental part
p. 284 - 286
(2011/07/08)
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- AI203/MeS03H (AMA) as a novel heterogeneous system for the nitration of aromatic compounds by magnesium nitrate hexahydrate
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Mg(NO3)2-6H2O was an efficient nitrating agent in the presence of a mixture of AI2O3/MeSO 3H (AMA) as a novel heterogeneous system for the nitration of aromatic compounds without use of any organic solvents and with high selectivity. The reaction proceeds at room temperature for the nitration of highly reactive aromatic compounds such as phenols and anilines.
- Hosseini-Sarvari, Mona,Tavakolian, Mina
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experimental part
p. 722 - 724
(2009/10/02)
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- Synthesis of some new substituted photochromic N,N′-bis(spiro[1- benzopyran-2,2′-indolyl])diazacrown systems with substituent control over ion chelation
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The reversible photochemical ion chelation of the newly synthesised substituted N,N′-bis(spiro[1-benzopyran-2,2′-indolyl])diazacrown systems 15a-c and the subsequent molecular electronic control of this process using appropriately placed substituent groups on the spiro-benzopyran skeleton is reported. The principle of molecular electronic control of ion chelation is demonstrated by comparing the behaviour of the newly synthesised nitro-substituted and pyrido-annulated spiro-benzopyran system 9b with that of the unsubstituted compound 9a. Electronic substituent control over ion chelation is then exemplified for the new N,N′-bis(5′-nitrospiro[1- benzopyran-2,2′-indolyl])diazacrown system 15c and further exemplified for the corresponding 5′-trifluoromethyl derivative 15b, which contains the photochemically more robust trifluoromethyl group. The crown system 15a, unsubstituted in the spiro-indole moiety, is also reported. Wiley-VCH Verlag GmbH & Co. KGaA, 2006.
- Roxburgh, Craig J.,Sammes, Peter G.
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p. 1050 - 1056
(2007/10/03)
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- Oxidation of alcohols with 1-decyl-4-aza-1-azonia-bicyclo[2.2.2]-octane chlorochromate under conventional and solvent-free conditions
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1-Decyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate was proposed as a mild and efficient reagent for oxidation of alcohols to the corresponding carbonyl compounds in boiling acetonitrile or under solvent-free conditions at room temperature. The experimental procedure is simple, and the products are isolated in good to excellent yields. Pleiades Publishing, Inc., 2006.
- Hajipour,Bagheri,Ruoho
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p. 844 - 848
(2007/10/03)
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- Highly efficient nitration of phenolic compounds by zirconyl nitrate
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Zirconyl nitrate was found to be an excellent reagent in the nitration of phenol and substituted phenols to give nitrated phenols. This procedure works efficiently on most of the examples at room temperature yielding nitro derivatives in fair to good yields with high regioselectivity.
- Selvam, J. Jon Paul,Suresh,Rajesh,Reddy, S. Ravinder,Venkateswarlu
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p. 2507 - 2509
(2007/10/03)
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- Microwave promoted rapid nitration of phenolic compounds with calcium nitrate
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Highly accelerated and safe nitration of phenolic compounds has been found to be feasible with a mixture of calcium nitrate and acetic acid as an efficient nitration agent under brief microwave irradiation. This method is compatible with the green chemistry approach because calcium salts-the inorganic byproducts-can be useful agrochemicals rather than waste chemicals. Commercially available 15N-labeled calcium nitrate is convenient for the preparation of 15N-labeled compounds for metabolic studies and mass spectrometry. This safe nitration method can be included in laboratory experiments for high school and college students.
- Bose, Ajay K.,Ganguly, Subhendu N.,Manhas, Maghar S.,Rao, Sheetal,Speck, Jeffrey,Pekelny, Uri,Pombo-Villars, Esteban
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p. 1885 - 1888
(2007/10/03)
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- Cold microwave chemistry: synthesis using pre-cooled reagents
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A novel experimental procedure for chemical reactions has been devised that involves mixing and then freezing the reagents (organic solvent-free) to a sub-zero temperature such as -30 °C. This frozen mixture is exposed to microwave irradiation for a brief period of time. The use of pre-cooled reagents may give a single product not obtained by traditional microwave irradiation at room temperature. Interestingly, such a product may provide information about mechanisms by identifying the first step of a multiple step reaction.
- Bose, Ajay K.,Ganguly, Subhendu N.,Manhas, Maghar S.,He, William,Speck, Jeffrey
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p. 3213 - 3215
(2007/10/03)
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- Oxidation of alcohols with 1-butyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate (BAAOCC) under non-aqueous conditions
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1-Butyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate (BAAOC) in the presence of AlCl3 affords an efficient and mild system for oxidation of a variety of alcohols, giving the corresponding aldehydes and ketones in refluxing acetonitrile. The experimental procedure is simple and the products are isolated straightforward in good to excellent yields.
- Hajipour, Abdol R.,Bagheri, Hamid R.,Ruoho, Arnold E.
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p. 577 - 580
(2007/10/03)
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- Synthesis of 2-alkyl-5-nitrobenzofurans via 2-(2-formyl-4-nitrophenoxy) alkanoic acids
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An efficient synthesis of 2-alkyl-5-nitrobenzofurans from 5-nitrosalicylaldehyde and 2-bromoesters via 2-(2-formyl-4-nitrophenoxy)alkanoic acids is described.
- Kwiecien
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p. 1865 - 1869
(2007/10/03)
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- Clay supported ammonium nitrate "clayan": A new reagent for selective nitration of arenes
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The nitration of activated, deactivated and highly functionalized arenes is described using clay-supported ammonium nitrate in the presence of perchloric acid.
- Meshram,Ganesh,Madhavi,Eshwaraiah,Yadav,Gunasekar
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p. 2497 - 2503
(2007/10/03)
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