444993-17-3

Basic information

• Product Name: Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester
• Synonyms: 4-trifluoromethyl-benzoic acid isopropyl ester
• CAS NO: 444993-17-3
• Molecular Formula: C11H11F3O2
• Molecular Weight: 232.202
• Mol File: 444993-17-3.mol

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester(444993-17-3)
• EPA Substance Registry System: Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester(444993-17-3)

Safety Data

• Hazardous Substances Data: 444993-17-3(Hazardous Substances Data)

Upstream product

• 625-55-8 isopropyl formate 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 67-63-0 isopropyl alcohol 
• 201230-82-2 carbon monoxide 
• 501374-30-7 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane 

Downstream Products

• 1423022-47-2 2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-benzoic acid 
• 1423022-48-3 2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-benzoyl chloride 
• 1423022-49-4 6-chloro-2-[2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-phenyl]-8-methylbenzo[d][1,3]oxazin-4-one 
• 1423022-38-1 5-chloro-2-[2-(3-chloropyridin-2-yl)-4-trifluoromethyl-benzoylamino]-N-dimethylcarbamoylmethoxy-3-methylbenzamide 
• 444993-18-4 2-(prop-2-yloxycarbonyl)-5-trfluoromethylphenylboronic acid 
• 1423167-72-9 2-[[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethyl-5-(1,2,4-triazol-1-yl)benzamide 
• 1424088-97-0 5-[(E)-(carbamoylhydrazono)methyl]-2-[[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide 
• 1423167-86-5 2-[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)phenyl]-8-methyl-6-(1,2,4-triazol-1-yl)-3,1-benzoxazin-4-one 
• 1423167-87-6 2-[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)phenyl]-6-[(E)-methoxyiminomethyl]-8-methyl-3,1-benzoxazin-4-one 
• 1423167-89-8 [[2-[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)phenyl]-8-methyl-4-oxo-3,1-benzoxazin-6-yl]methyleneamino]urea 
• 1423167-71-8 2-[[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)benzoyl]amino]-5-[(E)-methoxyiminomethyl]-N,3-dimethylbenzamide 
• 1423124-01-9 5-chloro-2-[[2-(3-chloro-2-pyridyl)-4-(trifluoromethyl)benzoyl]amino]-3-methyl-N-(thiolan-1-ylidene)benzamide 
• 1423124-21-3 2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-benzoic acid isopropyl ester 

Relevant articles and documents

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Facile preparation of aromatic esters from aromatic bromides with ethyl formate or DMF and molecular iodine via aryllithium

Various aromatic bromides were treated with n-BuLi and subsequently with ethyl formate, followed by the reaction with ethanol and molecular iodine in the presence of K2CO3 to provide the corresponding aromatic ethyl esters in good yields. Moreover, aromatic bromides could be transformed into the corresponding aromatic methyl esters in good yields by the treatment with n-BuLi and subsequently with DMF, followed by the reaction with methanol, molecular iodine, and K2CO3. Some aromatics could be also converted into the corresponding aromatic esters in good yields by the treatment with n-BuLi, and subsequently with ethyl formate or DMF, followed by the reaction with molecular iodine and K2CO3. The present reactions offer a novel route for the transition-metal-free, carbon-monoxide-free, and therefore environmentally benign one-pot conversion of aromatic bromides and aromatics into aromatic esters.

Palladium-catalyzed aerobic oxidative carbonylation of arylboronate esters under mild conditions

(Figure Presented) "CO"n Air: The title reaction was carried out using [PdCl2(PPh3)2 ] as the catalyst precursor under very mild conditions (balloon pressure of CO and air, at 40- 50°C), and produced a wide range of aryl carboxyl esters 2 in good to excellent yields. Remarkable selectivity between oxidative carbonylation and homocoupling of arylboronate esters l was also achieved.