Methyl 4-(2,2,2-trifluoroacetyl)benzoate

Base Information

Chemical Name:Methyl 4-(2,2,2-trifluoroacetyl)benzoate
CAS No.:62263-12-1
Molecular Formula:C10H7F3O3
Molecular Weight:232.159
Hs Code.:
DSSTox Substance ID:DTXSID50455465
Nikkaji Number:J954.764I
Wikidata:Q82277498

Synonyms:Methyl 4-(2,2,2-trifluoroacetyl)benzoate;62263-12-1;Benzoic acid, 4-(trifluoroacetyl)-, methyl ester;SCHEMBL13037417;DTXSID50455465;LRHOYBJCPJPNSG-UHFFFAOYSA-N;methyl 4-(trifluoroacetyl)benzoate;4-Trifluoroacetylbenzoic acid methyl ester;Methyl4-(2,2,2-trifluoroacetyl)benzoate;4-(Trifluoroacetyl)benzoic acid methyl ester;EN300-1928102

Suppliers and Price of Methyl 4-(2,2,2-trifluoroacetyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-(2,2,2-trifluoroacetyl)benzoate

Chemical Property:

Boiling Point:277.0±40.0 °C(Predicted)
PSA：43.37000
Density:1.324±0.06 g/cm3(Predicted)
LogP:2.21820
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:232.03472857
Heavy Atom Count:16
Complexity:278

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C(=O)C(F)(F)F

Technology Process of Methyl 4-(2,2,2-trifluoroacetyl)benzoate

There total 10 articles about Methyl 4-(2,2,2-trifluoroacetyl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 58808-59-6
4-(trifluoroacetyl)benzoic acid

: 62263-12-1
methyl 4‐(2,2,2‐trifluoroacetyl)benzoate

Guidance literature:: DOI:10.1016/S0957-4166(00)80234-7

Reference yield: 96.0%

: 67-56-1
methanol

: 58808-59-6
4-(trifluoroacetyl)benzoic acid

: 62263-12-1
methyl 4‐(2,2,2‐trifluoroacetyl)benzoate

Guidance literature:: With sulfuric acid; at 60 ℃; Inert atmosphere;
DOI:10.1016/j.bmc.2012.08.034 DOI:10.1016/j.bmc.2012.08.034

Reference yield: 88.0%

: 2,2,2‐trifluoro‐N‐(p-toluenesulfonyl)‐N‐phenylacetamide

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 62263-12-1
methyl 4‐(2,2,2‐trifluoroacetyl)benzoate

Guidance literature:: With palladium(II) acetylacetonate; caesium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 30 ℃; for 24h; Inert atmosphere;