Phenyl trifluoroacetate

Base Information

• Chemical Name: Phenyl trifluoroacetate
• CAS No.: 500-73-2
• Molecular Formula: C8H5 F3 O2
• Molecular Weight: 190.122
• Hs Code.: 2915900090
• European Community (EC) Number: 207-911-4
• DSSTox Substance ID: DTXSID9060106
• Nikkaji Number: J145.912K
• Wikidata: Q63392726
• Mol file: 500-73-2.mol

Synonyms:Phenyl trifluoroacetate;500-73-2;phenyl 2,2,2-trifluoroacetate;Acetic acid, trifluoro-, phenyl ester;Phenyltrifluoroacetate;Trifluoroacetic Acid Phenyl Ester;EINECS 207-911-4;Acetic acid, 2,2,2-trifluoro-, phenyl ester;Phenyl trifluoroacetate, 97%;SCHEMBL1255890;DTXSID9060106;DVCMYAIUSOSIQP-UHFFFAOYSA-;MFCD00039232;AKOS005256247;PS-11523;FT-0632238;T0741;D92385;Q63392726

Chemical Property of Phenyl trifluoroacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 6.2mmHg at 25°C
• Melting Point: -8,5°C
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 146-147 °C(lit.)
• Flash Point: 25°C
• PSA: 26.30000
• Density: 1.325g/cm³
• LogP: 2.15430
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.02416388
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenyl Trifluoroacetate >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)C(F)(F)F

Technology Process of Phenyl trifluoroacetate

There total 22 articles about Phenyl trifluoroacetate 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: 100.0%

trifluoroacetic acid (76-05-1) + phenol (108-95-2,27073-41-2) → phenyl trifluoroacetate (500-73-2)

Guidance literature:

With phosphorus pentoxide; for 24h; Product distribution; Heating; other phenols;

DOI:10.1021/jo00346a036

Reference yield: 99.0%

trifluoroacetic anhydride (407-25-0) + phenol (108-95-2,27073-41-2) → phenyl trifluoroacetate (500-73-2)

Guidance literature:

With erbium(III) chloride; for 0.3h; Heating;

DOI:10.1071/CH06346

Reference yield: 98.0%

2-(trifluoroacetyloxy)pyridine (96254-05-6) + phenol (108-95-2,27073-41-2) → phenyl trifluoroacetate (500-73-2)

Guidance literature:

In diethyl ether; for 2h; Heating;

DOI:10.1246/bcsj.63.2252

upstream raw materials:

trifluoroacetic anhydride

phenol

ethyl trifluoroacetate,

sodium phenoxide

Downstream raw materials:

N-(trifluoroacetyl)-L-alanine

N-trifluoroacetyl-L-phenylalanine

trifluoro-acetic acid-(1,2,3,4,5,6-hexachloro-cyclohexyl ester)

TFA-Gly

Refernces

• 1、 DiCosimo, Robert,Szabo, Hsiao-Chiung. "Cobalt(III)-Catalyzed Trifluoroacetoxylation of Benzene". . p. 1365 - 1367. Retrieved 1986.
• 2、 Su, Peigen,Fan, Chao,Yu, Heng,Wang, Wanqin,Jia, Xin,Rao, Qifan,Fu, Chenxi,Zhang, Donghua,Huang, Benhua,Pan, Cheng,Zheng, Aqun,Sun, Yang. "Synthesis of Ti-Al binary oxides and their catalytic application for C-H halogenation of phenols, aldehydes and ketones". . . Retrieved 2019/06/13.
• 3、 Konnick, Michael M.,Hashiguchi, Brian G.,Devarajan, Deepa,Boaz, Nicholas C.,Gunnoe, T. Brent,Groves, John T.,Gunsalus, Niles,Ess, Daniel H.,Periana, Roy A.. "Selective CH Functionalization of Methane, Ethane, and Propane by a Perfluoroarene Iodine(III) Complex". supporting information. p. 10490 - 10494. Retrieved 2016/02/18.