3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid

Base Information

Chemical Name:3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid
CAS No.:80272-16-8
Molecular Formula:C16H13BrF2O2
Molecular Weight:391.16
Hs Code.:
European Community (EC) Number:279-435-5
DSSTox Substance ID:DTXSID501001129
Nikkaji Number:J320.251H
Mol file:80272-16-8.mol

Synonyms:80272-16-8;3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid;EINECS 279-435-5;3-[2-BROMO-4-(TRIFLUOROMETHYL)PHENYL]-3-(4-FLUOROPHENYL)PROPANOIC ACID;SCHEMBL10980282;DTXSID501001129;3-(2-bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)Propanoic acid;3-(2-bromo-4-trifluoromethylphenyl)-3-(4'-fluorophenyl)-propanoic acid

Suppliers and Price of 3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid

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

Total 4 raw suppliers

Chemical Property of 3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid

Chemical Property:

Vapor Pressure:7.01E-09mmHg at 25°C
Boiling Point:449.9°Cat760mmHg
Flash Point:225.9°C
PSA：37.30000
Density:1.483g/cm³
LogP:5.21360
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:389.98785
Heavy Atom Count:23
Complexity:407

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=C1C(CC(=O)O)C2=C(C=C(C=C2)C(F)(F)F)Br)F

Technology Process of 3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid

There total 3 articles about 3-(2-Bromo-4-(perfluoromethyl)phenyl)-3-(p-fluorophenyl)propionic acid 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:

: 85118-24-7
2-bromo-4-(trifluoromethyl)benzaldehyde

: 80272-16-8
3-<2-bromo-4-(trifluoromethyl)phenyl>-3-(4-fluorophenyl)propanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / piperidine / toluene / 0.5 h / Heating

2: 1.) Mg / 1.) ether, 2.) ether, toluene, reflux, 30 min

3: aq. H₂SO₄, CH₃COOH / 24 h / Heating

With piperidine; sulfuric acid; magnesium; acetic acid; In toluene;
DOI:10.1021/jm00361a002

Reference yield:

: 85663-11-2
ethyl 3-<2-bromo-4-(trifluoromethyl)phenyl>-2-cyano-3-(4-fluorophenyl)propanoate

: 80272-16-8
3-<2-bromo-4-(trifluoromethyl)phenyl>-3-(4-fluorophenyl)propanoic acid

Guidance literature:: With sulfuric acid; acetic acid; for 24h; Yield given; Heating;
DOI:10.1021/jm00361a002

Reference yield:

: 85118-34-9
ethyl 3-<2-bromo-4-(trifluoromethyl)phenyl>-2-cyano-2-propenoate

: 80272-16-8
3-<2-bromo-4-(trifluoromethyl)phenyl>-3-(4-fluorophenyl)propanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg / 1.) ether, 2.) ether, toluene, reflux, 30 min

2: aq. H₂SO₄, CH₃COOH / 24 h / Heating

With sulfuric acid; magnesium; acetic acid;
DOI:10.1021/jm00361a002