Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester

Base Information

Chemical Name:Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester
CAS No.:651735-47-6
Molecular Formula:C16H10F6O2
Molecular Weight:348.245
Hs Code.:
DSSTox Substance ID:DTXSID70466710
Nikkaji Number:J2.010.348E

Synonyms:651735-47-6;Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester;[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate;DTXSID70466710;MFCD29066026;4'-(Trifluoromethyl)benzyl 4-(trifluoromethylbenzoate;4'-(Trifluoromethyl)benzyl 4-(trifluoromethylbenzoate, 99%

Suppliers and Price of Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester

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 Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester

Chemical Property:

XLogP3:5.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:348.05849853
Heavy Atom Count:24
Complexity:415

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Technology Process of Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl ester

There total 17 articles about Benzoic acid, 4-(trifluoromethyl)-, [4-(trifluoromethyl)phenyl]methyl 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: 99.0%

: 349-95-1
4-(trifluoromethyl)benzylic alcohol

: 651735-47-6
4-(trifluoromethyl)benzyl 4-(trifluoromethyl)-benzoate

Guidance literature:: With iodine; potassium carbonate; In tert-butyl alcohol; at 20 ℃; for 48h;
DOI:10.1016/j.tet.2005.03.097

Reference yield: 92.0%

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 651735-47-6
4-(trifluoromethyl)benzyl 4-(trifluoromethyl)-benzoate

Guidance literature:: With Rh(PhBP₃)(H)2(NCMe); hydrogen; In toluene; at 20 ℃; for 0.166667h; under 760.051 Torr;
DOI:10.1002/chem.201002921

Reference yield: 81.0%

: 349-95-1
4-(trifluoromethyl)benzylic alcohol

: 97-95-0
2-ethyl-1-butanol

: 2-ethylbutyl 4-(trifluoromethyl)benzoate

: 651735-47-6
4-(trifluoromethyl)benzyl 4-(trifluoromethyl)-benzoate

Guidance literature:: With RuH(CO)Cl(PPh₃)(κ²-CP); caesium carbonate; In toluene; for 24h; Schlenk technique; Glovebox; Inert atmosphere; Reflux;
DOI:10.1021/acs.organomet.9b00071