Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane

Base Information

Chemical Name:Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane
CAS No.:122035-83-0
Molecular Formula:C₉H₉F₃S
Molecular Weight:206.232
Hs Code.:
DSSTox Substance ID:DTXSID701247844

Synonyms:methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane;KTNWIMFHQYJCJH-UHFFFAOYSA-N;DTXSID701247844;122035-83-0;1-(Methylthio)-4-(2,2,2-trifluoroethyl)benzene

Suppliers and Price of Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane

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 0 raw suppliers

Chemical Property of Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:206.03770595
Heavy Atom Count:13
Complexity:147

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)CC(F)(F)F

Technology Process of Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane

There total 3 articles about Methyl(4-(2,2,2-trifluoroethyl)phenyl)sulfane 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: 91.0%

: 353-83-3
1,1,1-trifluoro-2-iodoethane

: 35371-03-0
4-iodothioanisole

: 122035-83-0
(4-(2,2,2-trifluoroethyl)phenyl)(methyl)sulfane

Guidance literature:: With nickel(II) iodide; 1,1'-bis-(diphenylphosphino)ferrocene; manganese; 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl acetamide; at 80 ℃; for 24h; Inert atmosphere; Sealed tube;
DOI:10.1002/adsc.202000985

Reference yield: 67.0%

: 353-83-3
1,1,1-trifluoro-2-iodoethane

: 98546-51-1
(4-thiomethoxyphenyl)boronic acid

: 122035-83-0
(4-(2,2,2-trifluoroethyl)phenyl)(methyl)sulfane

Guidance literature:: With nickel(II) nitrate hexahydrate; potassium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In 1,4-dioxane; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1002/adsc.201500346

Reference yield:

: 116703-73-2
(4-(1-bromo-2,2,2-trifluoroethyl)phenyl)(methyl)sulfane

: 122035-81-8
2,2,2-trifluoro-1-(4'-methylsulfanylphenyl)ethanol

: 122035-83-0
(4-(2,2,2-trifluoroethyl)phenyl)(methyl)sulfane

: C₉H₈F₃O₃S₂^(1-)

Guidance literature:: With sodium sulfite; In water; acetonitrile; Product distribution; Rate constant; mechanism of formation via common carbocation intermediate;
DOI:10.1016/S0040-4039(01)80312-9