2-(1,1-Difluoroethyl)benzoic acid

Base Information

Chemical Name:2-(1,1-Difluoroethyl)benzoic acid
CAS No.:892390-46-4
Molecular Formula:C₉H₈F₂O₂
Molecular Weight:186.158
Hs Code.:
European Community (EC) Number:889-737-4

Synonyms:2-(1,1-difluoroethyl)benzoic acid;892390-46-4;SCHEMBL4117336;DXVYQPFJNAMVLH-UHFFFAOYSA-N;2-(1,1-difluoroethyl)benzoicacid;AKOS023602908;AT12872;TS-02594;EN300-1614190

Suppliers and Price of 2-(1,1-Difluoroethyl)benzoic 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 2 raw suppliers

Chemical Property of 2-(1,1-Difluoroethyl)benzoic acid

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:186.04923582
Heavy Atom Count:13
Complexity:204

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=CC=C1C(=O)O)(F)F

Technology Process of 2-(1,1-Difluoroethyl)benzoic acid

There total 4 articles about 2-(1,1-Difluoroethyl)benzoic 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: 77.0%

: 444581-46-8
1-bromo-2-(1,1-difluoroethyl)benzene

: 124-38-9,18923-20-1
carbon dioxide

: 892390-46-4
2-(1,1-difluoroethyl)benzoic acid

Guidance literature:: 1-bromo-2-(1,1-difluoroethyl)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -80 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at 20 ℃; for 12h; Inert atmosphere;
DOI:10.1021/acs.joc.1c01518

Reference yield: 71.0%

: 612-19-1
2-ethylbenzoic acid

: 892390-46-4
2-(1,1-difluoroethyl)benzoic acid

Guidance literature:: With sodium persulfate; silver nitrate; Selectfluor; In water; acetonitrile; at 60 ℃; for 10h; Inert atmosphere; Schlenk technique; Cooling with liquid nitrogen;
DOI:10.1002/anie.201400225

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 892390-46-4
2-(1,1-difluoroethyl)benzoic acid

Guidance literature:: 1-bromo-2-(1,1-difluoroethyl)benzene; With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 1.5h;

carbon dioxide;