62263-12-1

Basic information

• Product Name: Benzoic acid, 4-(trifluoroacetyl)-, methyl ester
• Synonyms: p-trifluoroacetylbenzoic acid methyl ester;methyl 4-(trifluoroacetyl)-benzoic acid;methyl 4-(trifluoroacetyl)benzoate;Benzoic acid,4-(trifluoroacetyl)-,methyl ester
• CAS NO: 62263-12-1
• Molecular Formula: C10H7F3O3
• Molecular Weight: 232.159
• Mol File: 62263-12-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 277.0±40.0 °C(Predicted)
• Density: 1.324±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzoic acid, 4-(trifluoroacetyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(trifluoroacetyl)-, methyl ester(62263-12-1)
• EPA Substance Registry System: Benzoic acid, 4-(trifluoroacetyl)-, methyl ester(62263-12-1)

Safety Data

• Hazardous Substances Data: 62263-12-1(Hazardous Substances Data)

Upstream product

• 1126-46-1 Methyl 4-chlorobenzoate 
• 407-25-0 trifluoroacetic anhydride 
• 99768-12-4 4-methoxycarbonylphenylboronic acid 
• 1571-08-0 methyl 4-formylbenzoate 
• 1086836-85-2 methyl 4-(2,2,2-trifluoro-1-hydroxyethyl)benzoate 
• 16184-89-7 4'-bromo-2,2,2-trifluoroacetophenone 
• 67-56-1 methanol 
• 58808-59-6 4-(trifluoroacetyl)benzoic acid 
• 106-38-7 para-bromotoluene 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 394-59-2 2,2,2-trifluoro-1-(p-tolyl)ethanone 
• 186581-53-3 diazomethane 

Downstream Products

• 1404070-28-5 methyl 4-(2,2,2-trifluoro-1-(hydroxyimino)ethyl)benzoate 
• 1404070-29-6 methyl 4-(2,2,2-trifluoro-1-((tosyloxy)imino)ethyl)benzoate 
• 1086836-86-3 methyl 4-(1,2,2,2-tetrafluoroethyl)benzoate 
• 1254114-69-6 methyl 4-(2’,2’,2’-trifluoroethyl)benzoate 
• 952143-30-5 4-[(3-trifluoromethyl)diaziridin-3-yl]benzoic acid 

Relevant articles and documents

N-phenyl-N-p-toluenesulfonyl trifluoroacetamide (NTFTS) and application

The invention belongs to the technical field of medical chemical engineering intermediates and related chemistry, and relates to N-phenyl-N-p-toluenesulfonyl trifluoroacetamide (NTFTS) and application. The N-phenyl-N-p-toluenesulfonyl trifluoroacetamide is taken as a trifluoroacetylation reagent, reacts with an arylboronic acid derivative in an anhydrous organic solvent under the action of a metalcatalyst, a ligand and an alkali, and is efficiently and highly selectively converted into a trifluoroacetophenone compound. According to a synthesis method of the trifluoroacetophenone compound, involved in the invention, reaction steps are few; the NTFTS which is stable in use, easy to store, cheap and easy to get is taken as a trifluoroacetyl source; environmental friendliness is realized; reaction conditions are mild; operation is easy; a high-yield and high-selectivity target product is obtained and has relatively good industrial production value and practical application value. The trifluoroacetophenone compound synthesized by utilizing the method can be further subjected to a functionalization reaction, and can be widely applied to the synthetic fields of medicine, pesticide, bioactive molecules, functional material molecules and the like.

Enantioselective Palladium-Catalyzed [3+2] Cycloaddition of Trimethylenemethane and Fluorinated Ketones

A nitrile-substituted trimethylenemethane (TMM) donor undergoes palladium-catalyzed [3+2] cycloadditions with fluorinated ketones to generate tetrasubstituted trifluoromethylated centers in high enantioselectivity under mild conditions. The generation of the palladium–TMM complex was achieved by a self-deprotonation strategy, which shows remarkable improvements in regiocontrol, efficiency, and atom economy of asymmetric [3+2] cycloadditions. Moreover, the versatility of the nitrile group provides direct access to a variety of synthetically useful intermediates, including amides, aldehydes, and esters. The developed reaction conditions allow for the synthesis of a wide variety of aromatic, heteroaromatic, and aliphatic fluorinated dihydrofurans in excellent regio- and enantioselectivities.

3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.