Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

Base Information

Chemical Name:Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate
CAS No.:773875-92-6
Molecular Formula:C15H11F3O2
Molecular Weight:280.246
Hs Code.:2916399090
DSSTox Substance ID:DTXSID90404316
Wikidata:Q82208440
Mol file:773875-92-6.mol

Synonyms:773875-92-6;Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate;Methyl 3-[4-(trifluoromethyl)phenyl]benzoate;methyl 4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylate;DTXSID90404316;Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate;FROAHOFCAMJFIF-UHFFFAOYSA-N;AKOS004114026;BB 0222633;CS-0455723

Suppliers and Price of Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

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
Packaging
price

Crysdot
Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate 95+%
1g
$ 330.00

Crysdot
Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate 95+%
5g
$ 923.00

American Custom Chemicals Corporation
METHYL-4'-(TRIFLUOROMETHYL)-[1,1'-BIPHENYL]-3-CARBOXYLATE 95.00%
5MG
$ 497.22

Alichem
Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate
1g
$ 400.00

Total 5 raw suppliers

Chemical Property of Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

Chemical Property:

Boiling Point:343.3±42.0 °C(Predicted)
PSA：26.30000
Density:1.239±0.06 g/cm3(Predicted)
LogP:4.15900
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:280.07111408
Heavy Atom Count:20
Complexity:333

Purity/Quality:

95-622%min ^*data from raw suppliers

Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

There total 4 articles about Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate 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: 63.0%

: 2905-65-9
methyl 3-chlorobenzoate

: 98-56-6
4-chlorobenzotrifluoride

: 773875-92-6
methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

: 581-80-6
4,4'-bis(trifluoromethyl)biphenyl

Guidance literature:: With manganese; cobalt (II) bromide; triphenylphosphine; trifluoroacetic acid; In pyridine; N,N-dimethyl-formamide; at 50 ℃;
DOI:10.1002/anie.200704402

Reference yield: 63.0%

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 618-95-1
methyl 3-nitrobenzoate

: 773875-92-6
methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

Guidance literature:: With bis(acetylacetonato)palladium(II); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; cesium fluoride; In 1,4-dioxane; at 130 ℃; for 14h; Inert atmosphere; Glovebox;
DOI:10.1021/jacs.7b03159

Reference yield:

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

: 773875-92-6
methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine; dmap / tetrahydrofuran / 1 h / 20 °C

2: tricyclohexylphosphine; caesium carbonate; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾ / toluene / 24 h / Inert atmosphere; Glovebox; Reflux

With dmap; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; caesium carbonate; triethylamine; tricyclohexylphosphine; In tetrahydrofuran; toluene;
DOI:10.1002/ejoc.201500630