Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-

Base Information

Chemical Name:Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-
CAS No.:90605-29-1
Molecular Formula:C9H5F5
Molecular Weight:208.131
Hs Code.:
DSSTox Substance ID:DTXSID20445030
Nikkaji Number:J3.240.513D

Synonyms:90605-29-1;Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-;DTXSID20445030;1,1-Difluoro-2-[3-(trifluoromethyl)phenyl]ethene

Suppliers and Price of Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-

Chemical Property:

PSA：0.00000
LogP:3.94280
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:208.03114097
Heavy Atom Count:14
Complexity:214

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C=C(F)F

Technology Process of Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)-

There total 5 articles about Benzene, 1-(2,2-difluoroethenyl)-3-(trifluoromethyl)- 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: 65.0%

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 58310-28-4
(Difluoromethyl)triphenylphosphonium bromide

: 90605-29-1
1-(2,2-difluorovinyl)-3-(trifluoromethyl)benzene

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 50 ℃; for 4h; Inert atmosphere;
DOI:10.1016/j.jfluchem.2014.04.011

Reference yield: 60.0%

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 2,2‐difluoro‐2‐(triphenylphosphonio)acetate

: 90605-29-1
1-(2,2-difluorovinyl)-3-(trifluoromethyl)benzene

Guidance literature:: In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 4h; Inert atmosphere; Schlenk technique;
DOI:10.1039/c3cc44271c

Reference yield: 55.0%

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 87189-16-0
potassium 2-bromo-2,2-difluoroacetate

: 90605-29-1
1-(2,2-difluorovinyl)-3-(trifluoromethyl)benzene

Guidance literature:: 3-Trifluoromethylbenzaldehyde; potassium 2-bromo-2,2-difluoroacetate; With triphenylphosphine; In N,N-dimethyl-formamide; at 90 ℃; for 1h; Sealed tube; Inert atmosphere;

With lithium chloride; methyl iodide; In diethyl ether; water;
DOI:10.1021/acs.joc.0c02440