- Quadruple Stimuli-Responsive Mechanized Silica Nanoparticles: A Promising Multifunctional Nanomaterial for Diverse Applications
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Novel quadruple stimuli-responsive mechanized silica nanoparticles were constructed by installation of supramolecular nanovalves onto the exterior surface of mesoporous silica nanoparticles. The release of cargo molecules is triggered by acid/Zn2+/alkali/reduction potential stimuli. This has potential application in the development of drug delivery systems or construction of smart anticorrosion coatings.
- Ding, ChenDi,Tong, Ling,Fu, JiaJun
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Read Online
- Synthesis and anti-inflammatory effects of novel emodin derivatives bearing azole moieties
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Twelve azole derivatives of emodin were designed to possess anti-inflammatory activity and synthesized via a two-step sequence composed of the Williamson ether reaction and N-alkylation. The anti-inflammatory properties of these compounds were evaluated in RAW264.7 cells by measuring lipopolysaccharide (LPS)-induced nitric oxide (NO) production. The introduction of imidazole and four carbons into the scaffold of emodin led to the discovery of the potent compound 7e, which showed the best inhibition of NO production among twelve analogs. In our experiential setting, the IC50 of compound 7e in NO production is 1.35 μM, which is lower than that of indomethacin. Mechanically, compound 7e effectively inhibited the protein and messenger RNA expressions of cyclooxygenase-2 and inducible NO synthase, as well as that of the proinflammatory cytokine interleukin-6, and the cytokines interleukin-1β and tumor necrosis factor-α in the LPS-stimulated RAW 264.7 macrophages. Compound 7e exerted inhibitory effects on the nuclear factor κB pathway by reducing the LPS-induced phosphorylation of the inhibitor of NF-κB and the nuclear translation of p-p65. These results suggest the potential of compound 7e in improving inflammatory conditions and diseases.
- Ai, Xixi,Chen, Qifang,Chen, Si,Song, Yang,Yang, Yujin,Zhu, Xiaokang
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Read Online
- Host-guest complexation induced emission: A pillar[6]arene-based complex with intense fluorescence in dilute solution
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A host-guest inclusion complex was constructed from a water-soluble pillar[6]arene and a tetraphenylethene derivative in water and it exhibited strong fluorescence in dilute solution.
- Wang, Pi,Yan, Xuzhou,Huang, Feihe
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Read Online
- Synthesis of copillar[5]arenes and their host-guest complexation with two types of guests
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A series of novel copillar[5]arenes 1a-1f containing different substituents were synthesized. And their complexation with two types of guests was investigated. For symmetrical guests, 1,4-dibromobutane (DBB) could thread in the cavity of copillar[5]arenes to form inclusion complexes. But for the unsymmetrical guests, copillar[5]arene 1f bearing 4-(naphthalen-1-yloxy)butoxy could not complex with sec-butyl iodide (SBI) and sec-butyl bromide (SBB) at all, while 1f showed weak interaction with sec-butylamine·HCl (SBA) outside the cavity. These results indicated that the modified group of copillar[5]arene and the symmetry of guest played an important role in the complexation model and selectivity.
- Huang, Hongfei,Liu, Luzhi,Duan, Wengui,Huang, Yan,Lin, Guishan
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Read Online
- Iron(II) and Copper(I) Control the Total Regioselectivity in the Hydrobromination of Alkenes
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A new method that allows the complete control of the regioselectivity of the hydrobromination reaction of alkenes is described. Herein, we report a radical procedure with TMSBr and oxygen as common reagents, where the formation of the anti-Markovnikov product occurs in the presence of parts per million amounts of the Cu(I) species and the formation of the Markovnikov product occurs in the presence of 30 mol % iron(II) bromide. Density functional theory calculations combined with Fukui's radical susceptibilities support the obtained results.
- Cruz, Daniel A.,Sinka, Victoria,De Armas, Pedro,Steingruber, Hugo Sebastian,Fernández, Israel,Martín, Víctor S.,Miranda, Pedro O.,Padrón, Juan I.
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p. 6105 - 6109
(2021/08/18)
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- Nickel-Catalyzed Multicomponent Coupling Reaction of Alkyl Halides, Isocyanides and H2O: An Expedient Way to Access Alkyl Amides
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We herein describe a Ni-catalyzed multicomponent coupling reaction of alkyl halides, isocyanides, and H2O to access alkyl amides. Bench-stable NiCl2(dppp) is competent to initiate this transformation under mild reaction conditions, thus allowing easy operation and adding practical value. Substrate scope studies revealed a broad functional group tolerance and generality of primary and secondary alkyl halides in this protocol. A plausible catalytic cycle via a SET process is proposed based on preliminary experiments and previous literature.
- Li, Qiao,Jin, Hongwei,Liu, Yunkui,Zhou, Bingwei
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supporting information
p. 3466 - 3472
(2020/09/15)
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- The one-pot synthesis of butyl-1H-indol-3-alkylcarboxylic acid derivatives in ionic liquid as potent dual-acting agent for management of BPH
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Based on the SAR of both α1-AR antagonists and 5α-reductase (5AR) inhibitors, the dual-acting agent 4-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-indol-3-yl)butanoic acid 4aaa was designed against BPH and synthesized by two steps of N-alkylation. One-pot protocol towards 4aaa was newly developed. With IL [C6min]Br as solvent, the yield of 4aaa was increased to 75.1% from 16.0% and the reaction time was shortened in 1.5 h from 48 h. 25 derivatives structurally based on arylpiperazine and indolyl butyric acid with alkyl linker were prepared. The protocol was futher extended to get another 14 derivatives wherein O-alkylation was involved, and applied to the synthesis of biologically efficient molecules DPQ and Aripiprazole. Expectedly, compound 4aaa exhibited dual inhibition of α1-AR and 5α-reductase, and exhibited no obvious cytotoxicity against human cells. The pharmacokinetic properties of 4aaa was also determined.
- Chen, Kaixuan,Jiang, Zhenzhou,Liu, Shuwen,Xi, Baomin,Yang, Fubiao,Zeng, Li-Yan,Zeng, Yunong
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- Promising fungicides from allelochemicals: Synthesis of umbelliferone derivatives and their structure–activity relationships
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Umbelliferone was discovered to be an important allelochemical in our previous study, but the contribution of its activity and structure has not yet been revealed. In this study, a series of analogues were synthesized to determine the skeleton of umbelliferone and examine its fungicidal activity. Furthermore, targeted modifications were conducted with three plant parasitic fungi to examine the lead compounds. Among those tested, compounds 2f and 10 were found to show excellent antifungal activity with an inhibitory rate over 80% at 100 ug/mL. The study proves that umbelliferone can be a promising skeleton for fungicides discovery. In addition, the primary structure–activity relationship provides a good guidance for the discovery of novel fungicides based on natural products in the future.
- Pan, Le,Lei, Dongyu,Jin, Lu,He, Yuan,Yang, Qingqing
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- 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS
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The invention provides a compound which is a diazine of formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt thereof, for use as an antifungal agent: (I) wherein X, N', C', A and E are as defined herein. The invention also provides a compound of Formula (I) as defined herein.
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Page/Page column 84
(2017/02/09)
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- Curcumin derivative and preparation method and application thereof
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The invention relates to the field of medicinal chemistry and discloses a synthesis method of a curcumin derivative (I) and application thereof to preparation of a near-infrared small-molecule probe used for early diagnosis of the Alzheimer's disease. Experiments prove that the related compound has good selectivity on soluble Abeta, fluorescence intensity is obviously enhanced after the compound is combined with the soluble Abeta, and the most potential near-infrared fluorescent small-molecule probe with soluble Abeta selectivity has the selectivity on soluble Abeta. The molecular formula is described in the description.
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Paragraph 0036; 0037; 0038; 0044; 0045; 0046; 0047
(2016/10/09)
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- A 4 - phenoxy bromine butane preparation method
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The invention discloses a preparation method of 4-phenoxybutyl bromide. The preparation method of 4-phenoxybutyl bromide comprises the following steps: by taking phenol and 1,4-dibromobutane as raw materials, adding potassium carbonate under a condition of no solvent, adding a certain amount of potassium iodide, reacting under a condition of 70-90 DEG C for 4-6 hours, carrying out suction filtration on the reaction solution obtained by the reaction at the normal temperature, carrying out reduced pressure concentration on the filtrate at 40-45 DEG C and under a pressure of 0.09-0.1MPa, and carrying out reduced pressure rectification on the concentrate at 120-130 DEG C to obtain 4-phenoxybutyl bromide. The preparation method disclosed by the invention has the characteristics of being simple in preparation, convenient to operate, pollution-free and high in purity; moreover, the recovery rate of 1,4-dibromobutane achieves 50-70%, and the pure product yield of finally-obtained 4-phenoxybutyl bromide achieves more than 95%.
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Paragraph 0024-0026
(2017/05/26)
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- Efficacy of novel phenoxyalkyl pyridinium oximes as brain-penetrating reactivators of cholinesterase inhibited by surrogates of sarin and VX
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Pyridinium oximes are strong nucleophiles and many are effective reactivators of organophosphate-inhibited cholinesterase (ChE). However, the current oxime reactivators are ineffective at crossing the blood-brain barrier and reactivating brain ChE in the intact organism. Our laboratories have developed a series of substituted phenoxyalkyl pyridinium oximes (US patent 9,227,937 B2) with the goal of identifying reactivators effective in crossing the blood-brain barrier. The first 35 of the series were found to have similar in?vitro efficacy as reactivators of ChE inhibited by a sarin surrogate (phthalimidyl isopropyl methylphosphonate, PIMP) or a VX surrogate (nitrophenyl ethyl methylphosphonate, NEMP) in bovine brain preparations as previously observed in rat brain preparations. A number of these novel oximes have shown the ability to decrease the level of ChE inhibition in the brains of rats treated with a high sublethal dosage of either a sarin surrogate (nitrophenyl isopropyl methylphosphonate, NIMP) or the VX surrogate NEMP. Levels of reactivation at 2?h after oxime administration were up to 35% while the currently approved therapeutic, 2-PAM, yielded no reduction in brain ChE inhibition. In addition, there was evidence of attenuation of seizure-like behavior with several of the more effective novel oximes, but not 2-PAM. Therefore these novel oximes have demonstrated an ability to reactivate inhibited ChE in brain preparations from two species and in?vivo data support their ability to enter the brain and provide a therapeutic action. These novel oximes have the potential to be developed into improved antidotes for nerve agent therapy.
- Chambers, Janice E.,Chambers, Howard W.,Funck, Kristen E.,Meek, Edward C.,Pringle, Ronald B.,Ross, Matthew K.
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p. 154 - 159
(2016/12/06)
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- ω-Phenoxyalkyl substituted bis(indenyl)zirconium dichloride complexes as catalysts for homogeneous ethylene polymerization
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Nine bis(indenyl)zirconium dichloride complexes of the type [C9H6-(CH2)n-O-Ar]2ZrCl2 (n = 3-5; Ar = Ph, t-Bu-Ph) were synthesized, characterized, activated with methylalumoxane (MAO) and tested for ethylene polymerization. Structure-property-relationship studies showed that the activities of the catalysts depend on the length of the bridging chain between the indenyl and the phenoxy group as well as on the bulk at the phenoxy substituent. A t-Bu substituent at the ortho position of the phenoxy group (5a/MAO) gives a much higher catalyst activity (27,500 kg PE/mol cat h) than the isomer 8a/MAO with a t-Bu substituent at the para position of the phenoxy group (16,700 kg PE/mol cat h). Obviously substituents in the ortho position of the phenyl ring generate a bulkier catalyst cation and this can keep the MAO anion at a further distance to allow easier ethylene coordination and chain growth in the polymerization steps. The mono substituted bis(indenyl) complex (C9H7)[C9H6-(CH2)4-O-4-t-Bu]ZrCl2 shows lower activity (11,700 kg PE/mol cat h) than 8a indicating that the electronic effect is dominating in this type of catalysts.
- Ahmad, Khalil,Alt, Helmut G.
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- NOVEL ANTIMICROBIAL COMPOUNDS
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A new class of biotin protein ligase (BPL) inhibitors that have antibacterial activity against multiple Staphylococcus aureus isolates, including clinically important methicillin-resistant S. aureus (MRSA) are disclosed that are non-toxic.
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(2013/04/10)
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- Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties
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A novel series of aryloxyalkyl derivatives of imidazole and 1,2,4-triazole, 17-31, was designed and synthesized as inhibitors of heme oxygenase-1 (HO-1) and heme oxygenase-2 (HO-2). Some of these compounds were found to be good inhibitors of HO-1, in particular those carrying an imidazole moiety as azolyl group and a 3-bromo or 4-iodophenyl as aryl moiety. The most potent compounds 6 and 30 were selected and studied for their antitumor properties in a model of LAMA-84 R cell line overexpressing HO-1 and resistant to imatinib mesylate (IM), a tyrosine-kinase inhibitor used in the treatment of multiple types of cancer, most notably Philadelphia Chromosome positive (Ph+) Chronic Myelogenous Leukemia (CML). Results show that both 6 and 30 sensitized LAMA-84 R cell line to antitumor properties of IM.
- Salerno, Loredana,Pittalà, Valeria,Romeo, Giuseppe,Modica, Maria N.,Siracusa, Maria A.,Di Giacomo, Claudia,Acquaviva, Rosaria,Barbagallo, Ignazio,Tibullo, Daniele,Sorrenti, Valeria
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p. 5145 - 5153
(2013/09/02)
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- Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors
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By targeting the dual active sites of acetylcholinesterase (AChE), a new series of berberine derivatives was designed, synthesized, and evaluated as AChE inhibitors. Most of the derivatives inhibited AChE in the sub-micromolar range. Compound 8c, berberine linked with phenol by a 4-carbon spacer, showed the most potent inhibition of AChE. A kinetic study of AChE and BuChE indicated that a mix-competitive binding mode existed for these berberine derivatives. Molecular modeling studies confirmed that these hybrids target both the catalytic active site (CAS) and the peripheral anionic site (PAS) of AChE. This is the first report where AChE inhibitory activity has been associated with berberine as a lead molecule.
- Huang, Ling,Shi, Anding,He, Feng,Li, Xingshu
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experimental part
p. 1244 - 1251
(2010/05/02)
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- Twofold terminal post-functionalization of acetylacetone with hole- and electron-transporting fragments
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A modular synthetic methodology has been developed to prepare β-diketones functionalized with hole- and electron-transporting fragments at their two termini. The optical and electrochemical properties of these new β-diketones are also described in detail.
- Chen, Lingcheng,Ding, Junqiao,Cheng, Yanxiang,Wang, Lixiang,Jing, Xiabin,Wang, Fosong
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supporting information; experimental part
p. 4612 - 4616
(2010/09/10)
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- ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES
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The present invention relates to novel triazole compounds of the formulae (I), (II) and (IV) as defined below, to agricultural and pharmaceutical compositions containing them and to their use as fungicides, antimycotic, anticancer and antiviral agents.
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Page/Page column 111
(2010/12/31)
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- Design, synthesis, and antifungal activity of novel conformationally restricted triazole derivatives
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A series of new triazole derivatives were designed and synthesized on the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51). 2-(2,4-Difluorophenyl)-3-(methyl-(3-phenoxyalkyl)amino)-1- (1H-1,2,4-triazol-1-yl)propan-2-ols show excellent in-vitro activity against most of the tested pathogenic fungi. The MIC80 value of compound 8a against Candida albicans is 0.01 μM, which provides a good starting template for further structural optimization. The binding modes of the designed compounds were investigated by flexible molecular docking. The compounds interacted with CACYP51 through hydrophobic, van-der-Waals, and hydrogenbonding interactions.
- Wang, Wenya,Sheng, Chunquan,Che, Xiaoying,Ji, Haitao,Miao, Zhenyuan,Yao, Jianzhong,Zhang, Wannian
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experimental part
p. 732 - 739
(2010/06/11)
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- New azoles with potent antifungal activity: Design, synthesis and molecular docking
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In response to the urgent need for novel antifungal agents with improved activity and broader spectrum, computer modeling was used to rational design novel antifungal azoles. On the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of new azoles with substituted-phenoxypropyl piperazine side chains were rational designed and synthesized. In vitro antifungal activity assay indicates that the new azoles show good activity against most of the tested pathogenic fungi. Interestingly, the designed compounds are also active against an azole-resistant clinical strain. Compared to fluconazole and itraconazole, several compounds (such as 12i, 12j and 12n) show higher antifungal activity and broader spectrum, which are promising leads for the development of novel antifungal agents.
- Che, Xiaoying,Sheng, Chunquan,Wang, Wenya,Cao, Yongbing,Xu, Yulan,Ji, Haitao,Dong, Guoqiang,Miao, Zhenyuan,Yao, Jianzhong,Zhang, Wannian
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scheme or table
p. 4218 - 4226
(2009/12/09)
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- FATTY ACID AMIDE HYDROLASE INHIBITORS
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Disclosed are compounds of formula R-X-Y that may be used to inhibit the action of fatty acid amide hydrolase (FAAH). Inhibition of fatty acid amide hydrolase (FAAH) will slow the normal degradation and inactivation of endogenous cannabinoid ligands by FAAH hydrolysis and allow higher levels of those endogenous cannabinergic ligands to remain present. These higher levels of endocannabinoid ligands provide increased stimulation of the cannabinoid CBl and CB2 receptors and produce physiological effects related to the activation of the cannabinoid receptors. They will also enhance the effects of other exogenous cannabinergic ligands and allow them to produce their effects at lower concentrations as compared to systems in which fatty acid amide hydrolase (FAAH) action is hot inhibited. Thus, a compound that inhibits the inactivation of endogenous cannabinoid ligands by fatty acid amide hydrolase (FAAH) may increase the levels of endocannabinoids and, thus, enhance the activation of cannabinoid receptors. Thus, the compound may not directly modulate the cannabinoid receptors but has the effect of indirectly stimulating the cannabinoid receptors by increasing the levels of endocannabinoid ligands. It may also enhance the effects and duration of action of other exogenous cannabinergic ligands that are administered in order to elicit a cannabinergic response.
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(2008/06/13)
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- MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS FIELD OF THE INVENTION
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Muscarinic Acetylcholine Receptor Antagonists and methods of using them are provided.
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Page/Page column 16
(2008/06/13)
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- Tin-free radical carbonylation: Thiol ester synthesis using alkyl allyl sulfone precursors, phenyl benzenethiosulfonate, and CO
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(Chemical Equation Presented) Remove contents from tin ... Thiol esters have been successfully synthesized through tin-free radical carbonylation (see scheme; V-40 = initiator). This approach can be further extended to sequential radical reactions involving cyclization, carbonylation, and trapping of acyl radicals by phenyl benzenethiosulfonate.
- Kim, Sangmo,Kim, Sunggak,Otsuka, Noboru,Ryu, Ilhyong
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p. 6183 - 6186
(2007/10/03)
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- Design of PAP-1, a selective small molecule Kv1.3 blocker, for the suppression of effector memory t cells in autoimmune diseases
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The lymphocyte K+ channel Kv1.3 constitutes an attractive pharmacological target for the selective suppression of terminally differentiated effector memory T (TEM) cells in T cell mediated autoimmune diseases, such as multiple sclerosis and type 1 diabetes. Unfortunately, none of the existing small molecule Kv1.3 blockers is selective, and many of them, such as correolide, 4-phenyl-4-[3-(methoxyphenyl)-3-oxo-2- azapropyl] cyclohexanone, and our own compound Psora-4 inhibit the cardiac K+ channel Kv1.5. By further exploring the structure activity relationship around Psora-4 through a combination of traditional medicinal chemistry and whole-cell patch-clamp, we identified a series of new phenoxyalkoxypsoralens that exhibit 2- to 50-fold selectivity for Kv1.3 over Kv1.5, depending on their exact substitution pattern. The most potent and "druglike" compound of this series, 5-(4-phenoxybutoxy)psoralen (PAP-1), blocks Kv1.3 in a use-dependent manner, with a Hill coefficient of 2 and an EC50 of 2 nM, by preferentially binding to the C-type inactivated state of the channel. PAP-1 is 23-fold selective over Kv1.5, 33- to 125-fold selective over other Kv1-family channels, and 500- to 7500-fold selective over Kv2.1, Kv3.1, Kv3.2, Kv4.2, HERG, calcium-activated K+ channels, Na+, Ca2+, and Cl- channels. PAP-1 does not exhibit cytotoxic or phototoxic effects, is negative in the Ames test, and affects cytochrome P450-dependent enzymes only at micromolar concentrations. PAP-1 potently inhibits the proliferation of human TEM cells and suppresses delayed type hypersensitivity, a TEM cell-mediated reaction, in rats. PAP-1 and several of its derivatives therefore constitute excellent new tools to further explore Kv1.3 as a target for immunosuppression and could potentially be developed into orally available immunomodulators. Copyright
- Schmitz, Alexander,Sankaranarayanan, Ananthakrishnan,Azam, Philippe,Schmidt-Lassen, Kristina,Homerick, Daniel,Haensel, Wolfram,Wulff, Heike
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p. 1254 - 1270
(2007/10/03)
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- 9-(2-Aryloxyethyl) derivatives of adenine - A new class of non-nucleosidic antiviral agents
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New 9-(aryloxyalkyl) derivatives of adenine have been prepared by alkylation of adenine with tosylates, bromides, and α-chloro ethers containing terminal aromatic fragments in anhydrous DMF in the presence of potassium carbonate. The compounds of the 9-(2-phenoxyethyl)adenine series appear to be highly reactive against cytomegaloviruses of mankind in vitro, while derivatives of 9-(2-benzyloxyethyl)adenine demonstrate anti-HIV-1 activity. Compounds with shorter or longer chains, and also compounds which do not have aromatic fragments at the ends of the chains, do not possess antiviral activity.
- Petrov,Ozerov,Novikov,Pannecouque,Balzarini,De Clercq
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p. 1218 - 1226
(2007/10/03)
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- 1-[(Aryloxy)alkyl]-1H-imidazoles as inhibitors of neuronal nitric oxide synthase
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A series of 1-[(aryloxy)alkyl]-1 H-imidazoles were synthesized from imidazole and various (aryloxy)alkyl bromides and tested for inhibitory activity against the three isoforms of nitric oxide synthase. 1-[2-(4-Bromophenoxy)ethyl]-1 H-imidazole and 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole showed inhibitory activity against the neuronal isoform but were less potent against the endothelial isoform. Thus they could be considered interesting for their selectivity. The remaining compounds had only modest activity.
- Salerno,Sorrenti,Guerrera,Sarva,Siracusa,Di Giacomo,Vanella
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p. 491 - 494
(2007/10/03)
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- The synthesis of antioxidants showing selective affinity for low density lipoproteins
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The syntheses of some novel indolinosteroids, indolinodecalins and spiro tetrahydroquinolinopiperidines are described. These compounds act as chain-breaking antioxidants and in some cases show very selective binding to LDL particles in human plasma. Aspects of the stereoselectivity in the Fischer indolisation of three common steroidal ketones and the reduction of the resultant indoles to indolines are considered.
- Brown, David W.,Mahon, Mary F.,Ninan, Aleyamma,Sainsbury, Malcolm
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p. 2329 - 2336
(2007/10/03)
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- Azole compounds, their preparation, and fungicides which contain these compounds
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Azole compounds of the formula STR1 where X is hydrogen, halogen or trifluoromethyl, m is an integer from 1 to 5, Z is N or CH, R1 is C2 -C4 -alkenyl or C2 -C4 -alkynyl, and R2 is hydrogen, C1 -C4 -alkyl, C2 -C4 -alkenyl, C2 -C4 -alkynyl or C2 -C4 -alkanoyl, and their crop-tolerated addition salts with acids, and metal complexes, as well as fungicides which contain these compounds.
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- Azole compounds, their preparation, their use for crop treatment, and agents for this purpose
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Azole compounds of the formula STR1 where X is hydrogen, halogen, C1 -C4 -alkyl, C1 -C4 -alkoxy, trifluoromethyl or phenyl and m is an integer from 1 to 5, and, if m is greater than 1, the X's can be identical or different, n is an integer from 2 to 5, Z is N or CH and Y is CO or CR1 OR2, where R1 is hydrogen or C1 -C4 -alkyl and R2 is hydrogen, C1 -C4 -alkyl, C2 -C4 -alkenyl, C2 -C4 -alkynyl or C1 -C4 -alkanoyl, and their crop-tolerated addition salts with acids, and metal complexes. The compounds act as fungicides and growth regulators.
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- Pseudo One-Step Cleavage of C-C Bonds in the Decomposition of Ionized Carboxyclic Acids. Radical Like Reactions in Mass Spectrometry
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Metastable molecular ions of hexanoic acid (1) decompose unimolecularly to C2H5. and protonated methacrylic acid (5-H+)(92percent rel. abund.).Investigation of the mechanism reveals that 1) the branched cation radical 11 must be regarded as the essential intermediate in the course of the rearrangement/dissociation reaction and 2) the process commences with intramolecular hydrogen transfer from either C-3 or C-5 to the ionized carbonyl oxygen ("hidden" hydrogen migration).Hydrogen transfer from C-4, which would correspond to the well-known McLafferty rearrangement, is of no importance in the C2H5.-elimination from 1.The same conclusion applies for various alternative mechanisms, as for example a SRi type reaction, 1 -> 2-H+.The gas phase chemistry of the cation radical of 1, and in particular the hydrogen exchange processes between the methylene groups C-2/C-3 and C-5/C-6, is in surprisingly close correspondence to the chemistry of free alkyl radicals. - The syntheses of various 13C and 2H-labelled model compounds are described.
- Weiske, Thomas,Schwarz, Helmut
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p. 323 - 347
(2007/10/02)
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