1035797-66-0

Basic information

• Product Name: benzoic acid trifluoromethyl ester
• Synonyms: benzoic acid trifluoromethyl ester
• CAS NO: 1035797-66-0
• Molecular Weight: 190.122
• Mol File: 1035797-66-0.mol

Chemical Properties

• CAS DataBase Reference: benzoic acid trifluoromethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: benzoic acid trifluoromethyl ester(1035797-66-0)
• EPA Substance Registry System: benzoic acid trifluoromethyl ester(1035797-66-0)

Safety Data

• Hazardous Substances Data: 1035797-66-0(Hazardous Substances Data)

Upstream product

• 618-32-6 Benzoyl bromide 
• 3582-05-6 trifluoromethyl trifluoromethanesulfonate 
• 353-50-4 Carbonyl fluoride 
• 4124-31-6 trichloroacetic acid anhydride 

Downstream Products

• 121455-37-6 endo-2-hydroxybicyclo<3.3.1>non-1-yl benzoate 
• 121455-35-4 1-hydroxybicyclo<3.3.1>non-endo-2-yl benzoate 
• 121455-35-4 1-hydroxybicyclo<3.3.1>non-exo-2-yl benzoate 
• 121455-40-1 1-hydroxybicyclo<4.2.2>dec-2-yl benzoate 
• 121455-51-4 (bicyclo<3.2.2>non-1-yl)methane-1,1-diyl 
• 121455-41-2 1-hydroxybicyclo<3.3.2>dec-endo-2-yl 
• 121455-41-2 1-hydroxybicyclo<3.3.2>dec-exo-2-yl 
• 121455-38-7 1-hydroxybicyclo<4.3.1>dec-endo-2-yl 
• 121455-38-7 1-hydroxybicyclo<4.3.1>dec-exo-2-yl 
• 226703-19-1 trans-(phenoxo)(trifluoroacetyl)bis(trimethylphosphine)palladium(II) 
• 866632-64-6 2-bromo-4,5-difluoro-1-(trifluoromethoxy)benzene 
• 706-27-4 p-methyl-α,α,α-trifluoromethoxybenzene 
• 705-44-2 m-methyl-α,α,α-trifluoromethoxybenzene 
• 887268-25-9 2-bromo-4-methyl-1-(trifluoromethoxy)benzene 

Relevant articles and documents

Perfluoro alkoxylation reagent and preparation method and application thereof

The invention provides a perfluoro alkoxylation reagent and a preparation method and application thereof. Specifically, the provided perfluoro alkoxylation reagent shown as a formula A can be used fornormal perfluoro alkoxylation reactions in the field, especially trifluoromethylation. Raw materials related to the perfluoro alkoxylation reagent are low in price and easy to obtain, the reaction condition is mild, the operation is simple, the cost is low, and the reagent is easy to popularize and suitable for large-scale production. The formula A is as shown in the description.

Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent

Trifluoromethyl benzoate (TFBz) is developed as a new shelf-stable trifluoromethoxylation reagent, which can be easily prepared from inexpensive starting materials using KF as the only fluorine source. The synthetic potency of TFBz is demonstrated by trifluoromethoxylation-halogenation of arynes, nucleophilic substitution of alkyl (pseudo)halides, cross-coupling with aryl stannanes, and asymmetric difunctionalization of alkenes. The unprecedented trifluoromethoxylation-halogenation of arynes proceeds smoothly at room temperature with the aid of a crown ether-complexed potassium cation, which significantly stabilizes the trifluoromethoxide anion derived from TFBz.

A deeper insight into direct trifluoromethoxylation with trifluoromethyl triflate

Commercially available fluorides (silver fluoride and n-tetrabutylammonium triphenyldifluorosilicate), combined with TFMT, allow a simple generation, in situ, of silver and n-tetrabutylammonium trifluoromethoxides which were able to react with electrophilic substrates. Silver trifluoromethoxide, which is usually more efficient than n-tetrabutylammonium trifluoromethoxide, converts, under mild conditions, primary aliphatic bromides and iodides, as well as primary and secondary benzylic or allylic bromides to the corresponding trifluoromethoxylated compounds. Several trifluoromethyl ethers, which could be valuable building-blocks, were prepared in such a way.