56430-99-0

Usage

InChI:InChI=1/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3

Upstream product

• 728-81-4 3-(trifluoromethyl)benzophenone 
• 925-90-6 ethylmagnesium bromide 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 93-55-0 1-phenyl-propan-1-one 
• 98-80-6 phenylboronic acid 
• 501374-30-7 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 618-97-3 1-<3-(trifluoromethyl)phenyl>propan-1-ol 
• 5123-13-7 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane 

Relevant academic research and scientific papers

Controlled alcohol-carbonyl interconversion by nickel catalysis

All in one pot: A general synthetic platform allows the interconversion of alcohols and carbonyl compounds in a predictable and controlled fashion in one pot. Under the action of a Ni catalyst, PhCl, CsF, and arylboronates, several multistep alcohol-carbonyl interconversions have been achieved with good overall efficiency (see scheme). A one-pot nickel-catalyzed synthesis of flumecinol (a hepatic microsomal enzyme inducer) has also been demonstrated. Copyright

Interannular Proton Exchange and Fragmentation of Carbonyl-protonated Benzophenones

Benzophenones (a) initially protonated at the carbonyl group were prepared by electron-impact induced dissociation of 1,1-diphenylpropanols (compounds 1-5).These protonated ketones decompose in the ion source and the second field-free region of a reversed geometry mass spectrometer by proton migration to one of the phenyl groups and subsequent elimination of benzene.In the case of derivatives substituted by methoxy groups and trifluoromethyl groups, respectively, the proton migrates predominantly to the more basic benzene ring, resulting in the elimination of anisole in the former case and of benzene in the latter case.A study of protonated benzophenones labelled at the phenyl ring and at the carbonyl group shows that only a few interannular H/D exchange steps precede the fragmentation.This is observed not only for metastable ions in the magnetic sector instrument but also for ions of long lifetimes investigated by Fourier-transform-ion cyclotron resonance (FT-ICR) spectrometry.This is in contrast to the arene elimination from protonated 1,ω-diphenylalkanes and related polyphenylalkanes which fragment by complete positional exchange of all hydrogen atoms at the aromatic rings.The special behaviour of protonated benzophenones is attributed to a low barrier for the decomposition of a chemically activated arenium ion (b), which arises from the initial proton transfer.Once (b) is formed, it decomposes quickly without much interannular proton exchange.

Alpha-substituted benzhydrol derivatives

The invention relates to new α-substituted benzhydrols and pharmaceutically acceptable acid addition salts or quaternary ammonium salts thereof with enzyme promoting or inhibiting effects;

α-Substituted benzhydrol derivatives and a process for the preparation thereof

A compound of the formula: STR1 wherein Z is ethyl or vinyl, R1 and R2 are hydrogen, lower alkyl, lower alkenyl or trihalomethyl, R3 and R4 are hydrogen, lower alkyl, lower alkenyl, trihalomethyl, cyclopentyl, benzyl or phenyl, and R5 is lower alkyl, lower alkenyl, trihalomethyl, cyclopentyl, benzyl, or phenyl with the proviso that where R1, R2, R3 and R4 each is hydrogen, R5 is not methyl attached to the 4-position of the benzene ring, or a pharmaceutically acceptable acid addition or quaternary ammonium salt thereof is disclosed as effective in the regulation of the liver microsomal enzyme system.