6290-24-0Relevant articles and documents
Ligand-free Cu(ii)-catalyzed aerobic etherification of aryl halides with silanes: An experimental and theoretical approach
Ahmed, Muhammad Naeem,Ahmad, Khalil,Yasin, Khawaja Ansar,Farooq, Tayyaba,Khan, Bilal Ahmad,Roy, Soumendra K.
, p. 11316 - 11333 (2019/07/31)
Owing to their wide occurrence in nature and immense applications in various fields, the synthesis of aryl alkyl ethers has remained a focus of interest. In contrast to the conventional/traditional methods of etherification, herein, we have reported a more efficient method, which is better yielding and more general in application. The etherification of aryl halides by alkoxy/phenoxy silanes was catalyzed by copper acetate in the presence of cesium carbonate and oxygen in DMF at 145 °C. All the as-synthesized compounds were characterized via the 1H-NMR and 13C-NMR spectroscopic techniques. Density functional theory calculations using the B3LYP functional were performed to elucidate the reaction mechanism. The C-O coupling reaction between 2-nitroiodobenzene and tetramethoxysilane was used as a model reaction. The activation energy barriers for the generation of catalytic species (31.6 kcal mol-1) and the σ-bond metathesis (16.0 kcal mol-1), oxidative addition/reductive elimination (20.3 kcal mol-1), halogen atom transfer (19.2 kcal mol-1) and single electron transfer (SET) (29.5 kcal mol-1) mechanisms for the C-O coupling reaction were calculated. Calculations for the key reaction steps were repeated with the B3PW91, PBEH1PBE, wB97XD, CAM-B3LYP and mPW1LYP functionals. The formation of catalytic species via a single electron transfer reaction between tetramethoxysilane and copper acetate, formation of methoxy radicals and methoxylation of copper showed an overall energy barrier of 31.6 kcal mol-1, and therefore is the rate determining step.
Composition FOR PREVENTING ALOPECIA AND ACTIVATING HAIR GROWTH
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Paragraph 0116; 0118; 0119, (2018/02/16)
The present invention provides a hair growth promoter comprising as an active ingredient, a compound having a chemical structure of general formula (1) or a pharmacologically acceptable salt thereof. In the general formula (1): R_1 is a saturated or unsaturated straight chain or branched C1-C10 alkyl group or hydroxy alkyl group; R_2 is hydrogen or a saturated or unsaturated straight chain or branched C1-C10 alkoxy or hydroxy alkoxy; X is hydrogen, hydroxy, or a saturated or unsaturated straight chain or branched C1-C10 alkyl group, alkoxy or hydroxyl alkoxy; R_3 and R_4 are each independently selected from R_5, hydrogen, aldehyde, and a saturated or unsaturated straight chain or branched alkyl, alkoxy, or hydroxy alkoxy; R_5 has a structure of # AAA #; R_6 is selected from hydrogen, and a saturated or unsaturated straight chain or branched C1-C10 alkyl, alkoxy, or hydroxy alkoxy; and one of R_3 and R_4 is hydrogen.COPYRIGHT KIPO 2017
SKIN WHITENING AGENT CONTAINING NOVEL CYCLIC COMPOUND
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Paragraph 0108; 0109, (2016/08/29)
Provided is a derivative or a polyhydroxy cyclic compound represented by Formula I or a pharmacologically acceptable salt thereof with excellent whitening effects, comprising; wherein {circle around (A)} is derived from an aromatic cyclic compound, B is hydrogen, oxo (═O), amino (—NH2), imino (═NH), or a saturated or unsaturated straight or branched alkyl, alkoxy, monoalkylamino, or dialkylamino group having 1 to 10 carbon atoms, Cn, Cn+1and Cn+2 are three neighboring carbon atoms present in the aromatic cyclic compound, wherein n is a positive integer, R1 is hydrogen, hydroxy, or a saturated or unsaturated straight or branched alkyl or alkoxy group, X and Y are selected from a group consisting of hydrogen, hydroxy, and a saturated or unsaturated straight or branched alkoxy, or acyloxy group, and one of X and Y is hydrogen, R2, R3, R4 and R5 are each independently at least one substituent selected from a group consisting of hydrogen, alkyl, alkoxy, acyloxy, acyloxymethyl, oxo, hydroxy, vinyl, nitrile, carboxaldehyde, carbonitrile and aldehyde.
Synthetic method for medical intermediate ethyl o-ethoxybenzoate of o-ethoxybenzoate
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Paragraph 0013; 0014, (2016/11/17)
The invention discloses a synthetic method for a medical intermediate ethyl o-ethoxybenzoate of o-ethoxybenzoate. The synthetic method includes the following steps that 0.32 mol of salicylic acid, 0.65 mol of sodium hydrogen sulfite solutions, 0.31 mol of stannous chloride and 300 ml of sodium chloride solutions are added into a reacting container provided with a stirrer, a reflux condenser and a dropping funnel, the stirring speed is controlled to be 130-170 rpm, and the temperature of the solution is reduced to 5-9 DEG C; 1.31-1.33 mol of ethylamine is dropwise added, and continuous stirring is carried out for 8-9 h after the ethylamine is added; 300 ml of cyclohexane is added, and after 80-120 min, an organic layer is separated; the mixture is subjected to salt solution washing for 3-5 times, dehydrated through a dehydrating agent and subjected to reduced pressure distillation, the fraction obtained at the temperature of 105-115 DEG C is collected, recrystallization is carried out in isopropyl alcohol, and the crystal ethyl o-ethoxybenzoate is obtained, wherein the mass percent of the sodium hydrogen sulfite solutions ranges from 30% to 35%, the mass percent of the sodium chloride solutions ranges from 15% to 20%, and the mass percent of the cyclohexane ranges from 55% to 60%.
New cyclic skin whiteninig agent
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Paragraph 0115-0116, (2016/11/21)
In the present invention, provided is a skin whitening agent, which is easily synthesized without side effects for skin and has an outstanding effect of inhibiting pigmentation on skin due to an outstanding effect of inhibiting the creation of melanine where a cyclic derivative compound or pharmaceutically acceptable salt thereof has a chemical structure in formula (I) and is accordingly used to achieve the purpose of the present invention. In the present invention, provided is a cyclic derivative compound or pharmaceutically acceptable salt thereof, which has an effect of whitening skin and a chemical structure in formula (I) where A is derived from an aromatic cyclic compound; B is derived from among hydrogen, O which is oxo, NH_2 which is amino, NH which is imino, C1-C10 of saturated or unsaturated straight or branched chain alkyl group, alkoxy, mono alkyl amino group or dialkyl amino group; and C_n, C_n+1 and C_n+2 are three neighboring carbons in the cyclic compound wherein n is a positive integer.COPYRIGHT KIPO 2015
Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents
Du, Qian-Ru,Li, Dong-Dong,Pi, Ya-Zhou,Li, Jing-Ran,Sun, Jian,Fang, Fei,Zhong, Wei-Qing,Gong, Hai-Bin,Zhu, Hai-Liang
, p. 2286 - 2297 (2013/05/09)
A series of novel 1,3,4-oxadiazole thioether derivatives (compounds 9-44) were designed and synthesized as potential inhibitors of thymidylate synthase (TS) and as anticancer agents. The in vitro anticancer activities of these compounds were evaluated against three cancer cell lines by the MTT method. Among all the designed compounds, compound 18 bearing a nitro substituent exhibited more potent in vitro anticancer activities with IC50 values of 0.7 ± 0.2, 30.0 ± 1.2, 18.3 ± 1.4 μM, respectively, which was superior to the positive control. In the further study, it was identified as the most potent inhibitor against two kinds of TS protein (for human TS and Escherichia coli TS, IC50 values: 0.62 and 0.47 μM, respectively) in the TS inhibition assay in vitro and the most potent antibacterial agents with MIC (minimum inhibitory concentrations) of 1.56-3.13 μg/mL against the tested four bacterial strains. Molecular docking and 3D-QSAR study supported that compound 18 can be selected as dual antitumor/antibacterial candidate in the future study.
Acylative cleavage of ethers with ZnCl2
Yu, Yun-Feng,Gao, Jian-Rong,Jiang, Shao-Liang,Han, Liang,Jia, Jian-Hong,Li, Yu-Jin
experimental part, p. 5199 - 5201 (2012/09/21)
Acylative cleavage of common ether solvents with ZnCl2 was reported. Different substituted acyl chlorides were reacted with the common ether solvents in the presence of ZnCl2 to obtain the corresponding substituted benzoate.
Synthesis using microwave irradiation, characterisation and antibacterial activity of Novel deoxycholic acid-triazole conjugates
Yang, Jie,Zhao, Zhigang,Li, Hui
scheme or table, p. 383 - 386 (2012/10/08)
Novel deoxycholic acid 3α-triazole conjugates based on methyl 3α-chloroacetoxy-12α-hydroxy-cholanate have been synthesised. The synthesis is accelerated by microwave irradiation under solvent free conditions in the presence of K2CO3. Some of these compounds were tested for antibacterial activity against B.subtilis, P.aeruginosa and S.aureus. The preliminary results indicated that these deoxycholic acid-triazole conjugates have good inhibitory effect against B.subtilis. All of the compounds were characterised by 1H NMR, IR, ESI-MS spectra and elemental analyses.
Synthesis of novel arylhydrazide molecular tweezer artificial receptors based on deoxycholic acid using microwave irradiation
Li, Xiaorui,Zhao, Zhigang,Cheng, Yuyu,Li, Hui
experimental part, p. 234 - 237 (2011/07/08)
Eleven novel molecular tweezer anion receptors based on deoxycholic acid have been synthesised using microwave irradiation. Their structures were established by 1H NMR, IR, MS spectra and elemental analysis. Their binding properties were examined by UV-Vis spectra titration. The preliminary results indicate that these molecular tweezers show good recognition properties for H2PO4-, CH3COO- and NO3-.
Preparation of novel molecular tweezers based on 3,6-O-(2- acylhydrazinocarbonyl) esters of hyodeoxycholic acid using microwave irradiation
Li, Xiaorui,Qiu, Liying,Mei, Qinggang,Bi, Qingwei,Zhao, Zhigang
scheme or table, p. 364 - 367 (2011/10/05)
Ten novel molecular tweezers based on the 3,6-O-(2-acylhydrazinocarbonyl) esters of hyodeoxycholic acid have been synthesised using microwave irradiation. Their structures were established by 1H NMR, IR, MS spectra and elemental analysis. Their binding properties were examined by UV-Vis spectra titration. The preliminary results indicate that these molecular tweezers show good recognition properties for Cl-, Br-, I-.
