1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene

Base Information

Chemical Name:1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene
CAS No.:148258-94-0
Molecular Formula:C9H4ClF3
Molecular Weight:204.579
Hs Code.:
European Community (EC) Number:891-775-1
Mol file:148258-94-0.mol

Synonyms:1-chloro-2-ethynyl-4-(trifluoromethyl)benzene;148258-94-0;SCHEMBL2651995;MFCD11618084;CS-0093722;D75440;EN300-1936448;A1-15191

Suppliers and Price of 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene

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 2 raw suppliers

Chemical Property of 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:203.9953623
Heavy Atom Count:13
Complexity:225

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=C(C=CC(=C1)C(F)(F)F)Cl

Technology Process of 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene

There total 2 articles about 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene 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: 87.0%

: 875558-46-6
{[2-chloro-5-(trifluoromethyl)phenyl]ethynyl}(trimethyl)silane

: 148258-94-0
1-chloro-2-ethynyl-4-(trifluoromethyl)benzene

Guidance literature:: With methanol; potassium carbonate;
DOI:10.1016/S0040-4039(00)60787-6

Reference yield:

: 454-78-4
3-bromo-4-chlorobenzotrifluoride

: 148258-94-0
1-chloro-2-ethynyl-4-(trifluoromethyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / Pd(PPh₃)4, CuI / 110 °C

2: 87 percent / K₂CO₃, MeOH

With methanol; potassium carbonate; triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾;
DOI:10.1016/S0040-4039(00)60787-6

Reference yield: 67.0%

: 105-36-2
ethyl bromoacetate

: 148258-94-0
1-chloro-2-ethynyl-4-(trifluoromethyl)benzene

: 645-59-0
dihydrocinnamonitrile

: 1628958-00-8
ethyl 4-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-phenylethyl)-1H-pyrrole-3-carboxylate

Guidance literature:: ethyl bromoacetate; dihydrocinnamonitrile; With methanesulfonic acid; zinc; In tetrahydrofuran; for 1h; Reflux;

1-chloro-2-ethynyl-4-(trifluoromethyl)benzene; In tetrahydrofuran;

With copper diacetate; palladium diacetate; acetic acid; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 - 90 ℃; regioselective reaction;
DOI:10.1021/jo501672c