Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate

Base Information

Chemical Name:Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate
CAS No.:85118-34-9
Molecular Formula:C13H9 Br F3 N O2
Molecular Weight:348.119
Hs Code.:2926909090
European Community (EC) Number:285-688-2
Nikkaji Number:J309.752H
Mol file:85118-34-9.mol

Synonyms:85118-34-9;Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate;EINECS 285-688-2;ethyl (E)-3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoprop-2-enoate;ETHYL 3-[2-BROMO-4-(TRIFLUOROMETHYL)PHENYL]-2-CYANOACRYLATE;C13H9BrF3NO2;C13-H9-Br-F3-N-O2;3-[2-Bromo-4-(trifluoromethyl)phenyl]-2-cyanopropenoic acid ethyl ester

Suppliers and Price of Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate

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 5 raw suppliers

Chemical Property of Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate

Chemical Property:

Vapor Pressure:1.49E-05mmHg at 25°C
Boiling Point:366.2°C at 760 mmHg
Flash Point:175.3°C
PSA：50.09000
Density:1.538g/cm³
LogP:3.93798
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:346.97688
Heavy Atom Count:20
Complexity:439

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=CC1=C(C=C(C=C1)C(F)(F)F)Br)C#N
Isomeric SMILES:CCOC(=O)/C(=C/C1=C(C=C(C=C1)C(F)(F)F)Br)/C#N

Technology Process of Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate

There total 1 articles about Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate 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: 82.0%

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

: 105-56-6
ethyl 2-cyanoacetate

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

Guidance literature:: With piperidine; In toluene; for 0.5h; Heating;
DOI:10.1021/jm00361a002

Reference yield:

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

: 85118-26-9
1-chloro-3-(4-fluorophenyl)-6-(trifluoromethyl)indan

Guidance literature:: Multi-step reaction with 5 steps

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

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

3: 82 percent / n-butyllithium / hexane; diethyl ether / 0.5 h / 0 °C

4: 75 percent / sodium borohydride / methanol / 1 h / Ambient temperature

5: 100 percent / SOCl₂ / toluene / 1.) RT, 30 min, 2.) from 50 deg C to 55 deg C, 1 h

With sodium tetrahydroborate; n-butyllithium; thionyl chloride; sulfuric acid; magnesium; acetic acid; In methanol; diethyl ether; hexane; toluene;
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