196934-20-0

Basic information

• Product Name: Benzoic acid, 4-(trifluoromethyl)-, 1,1-dimethylethyl ester
• Synonyms: Benzoic acid,4-(trifluoromethyl)-,1,1-dimethylethyl ester;4-(trifluoromethyl)benzoic acid t-butyl ester
• CAS NO: 196934-20-0
• Molecular Formula: C12H13F3O2
• Molecular Weight: 246.229
• Mol File: 196934-20-0.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(trifluoromethyl)-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(trifluoromethyl)-, 1,1-dimethylethyl ester(196934-20-0)
• EPA Substance Registry System: Benzoic acid, 4-(trifluoromethyl)-, 1,1-dimethylethyl ester(196934-20-0)

Safety Data

• Hazardous Substances Data: 196934-20-0(Hazardous Substances Data)

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 201230-82-2 carbon monoxide 
• 75-65-0 tert-butyl alcohol 
• 75-91-2 tert.-butylhydroperoxide 
• 2338-75-2 4-(Trifluoromethyl)phenylacetonitrile 
• 24424-99-5 di-tert-butyl dicarbonate 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 214360-65-3 4-trifluoromethylphenylboronic acid pinacol ester 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 110-05-4 di-tert-butyl peroxide 
• 865-48-5 sodium t-butanolate 
• 72390-16-0 p-(Trifluoromethyl)benzyl tert-butyl ether 
• 540-88-5 acetic acid tert-butyl ester 
• 2967-66-0 methyl 4-(trifluoromethyl)benzoate 

Downstream Products

• 2967-66-0 methyl 4-(trifluoromethyl)benzoate 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 13756-42-8 tert-butyl 4-methylbenzoate 

Relevant articles and documents

Metal-free radical aromatic carbonylations mediated by weak bases

We report a new method of metal-free alkoxycarbonylation. This reaction involves the generation of aryl radicals from arenediazonium salts by a very weak base (HCO2Na) under mild conditions. Subsequent radical trapping with carbon monoxide and alcohols gives alkyl benzoates. The conditions (metal-free, 1 equiv. base, MeCN, r.t., 3 h) tolerate various functional groups (I, Br, Cl, CF3, SF5, NO2, ester). Mechanistic studies indicate the operation of a radical aromatic substitution mechanism.

A direct and sustainable synthesis of tertiary butyl esters enabled by flow microreactors

Tertiary butyl esters find large applications in synthetic organic chemistry. A straightforward method for the direct introduction of the tert-butoxycarbonyl group into a variety of organic compounds has been developed using flow microreactor systems. The resultant flow process was more efficient, versatile and sustainable compared to the batch.

Copper-catalyzed oxidative esterification of aldehydes with dialkyl peroxides: Efficient synthesis of esters of tertiary alcohols

Copper-catalyzed oxidative esterification of aldehydes with dialkyl peroxides has been developed. This protocol affords a novel approach for the synthesis of carboxylic esters of tertiary alcohols under mild conditions. Depending on the catalyst system, a variety of tertiary esters were produced in good to excellent yields.