Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester

Base Information

Chemical Name:Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester
CAS No.:74975-85-2
Molecular Formula:C10H9F3O3
Molecular Weight:234.175
Hs Code.:
DSSTox Substance ID:DTXSID40479110
Nikkaji Number:J2.070.138B
Wikidata:Q82313002

Synonyms:Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester;74975-85-2;SCHEMBL17233760;DTXSID40479110;UZJTXJPBVRSHIJ-UHFFFAOYSA-N

Suppliers and Price of Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:234.05037863
Heavy Atom Count:16
Complexity:232

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(=O)OCC(F)(F)F

Technology Process of Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester

There total 9 articles about Benzoic acid, 4-methoxy-, 2,2,2-trifluoroethyl ester 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: 85.0%

: 75-89-8
2,2,2-trifluoroethanol

: 105-13-5
4-Methoxybenzyl alcohol

: 74975-85-2
α,α,α-trifluroethyl 4-methoxybenzoate

Guidance literature:: With iodine; potassium carbonate; at 50 ℃; for 24h;
DOI:10.1055/s-2004-817789

Reference yield: 81.0%

: 74975-85-2
α,α,α-trifluroethyl 4-methoxybenzoate

Guidance literature:: With tert.-butylnitrite; trifluoroethylamine; at 20 ℃; for 10h;

Reference yield: 75.0%

: (4-methoxyphenyl)dimethylsulfonium triflate

: 75-89-8
2,2,2-trifluoroethanol

: 201230-82-2
carbon monoxide

: 1579-72-2
2,2,2-trifluoroethyl benzoate

: 74975-85-2
α,α,α-trifluroethyl 4-methoxybenzoate

Guidance literature:: With C₃₉H₃₂OP₂*C₁₃H₁₂N^(1-)*Pd⁽²⁺⁾*CH₃O₃S^(1-); N-ethyl-N,N-diisopropylamine; In toluene; at 110 ℃; for 12h; under 760.051 Torr; Inert atmosphere;
DOI:10.1021/acs.orglett.9b00067