Txemeldkehnglc-uhfffaoysa-N

Base Information

Chemical Name:Txemeldkehnglc-uhfffaoysa-N
CAS No.:181180-59-6
Molecular Formula:C₈H₇F₃OS
Molecular Weight:208.204
Hs Code.:
DSSTox Substance ID:DTXSID901252110

Synonyms:SCHEMBL514110;TXEMELDKEHNGLC-UHFFFAOYSA-N;DTXSID901252110;1-methylsulfinyl-2-(trifluoromethyl)benzene;1-(Methylsulfinyl)-2-(trifluoromethyl)benzene

Suppliers and Price of Txemeldkehnglc-uhfffaoysa-N

Supply Marketing:

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

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Chemical Property of Txemeldkehnglc-uhfffaoysa-N

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:208.01697050
Heavy Atom Count:13
Complexity:202

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Txemeldkehnglc-uhfffaoysa-N

There total 1 articles about Txemeldkehnglc-uhfffaoysa-N 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:

: 322-58-7
2-(methylthio)-1-(trifluoromethyl)benzene

: 181180-59-6
1-(methylsulfinyl)-2-(trifluoromethyl)benzene

Guidance literature:: With bis(pyridine)silver(I) permanganate; In water; acetic acid; at 24.84 ℃; Temperature; Kinetics;

Reference yield: 95.0%

: 181180-59-6
1-(methylsulfinyl)-2-(trifluoromethyl)benzene

: 82192-57-2
triisopropyl(prop-1-ynyl)silane

: triisopropyl(3-[2-(methylsulfanyl)-3-(trifluoromethyl)phenyl]prop-1-yn-1-yl)silane

Guidance literature:: With 2,6-dimethylpyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 65 ℃; for 16h; Inert atmosphere;
DOI:10.1021/jacs.5b12579

Reference yield:

: 106-42-3
para-xylene

: 181180-59-6
1-(methylsulfinyl)-2-(trifluoromethyl)benzene

: (2,5-dimethylphenyl)(2-(trifluoromethyl)phenyl)sulfide

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 1.75 h / -30 - 20 °C / Inert atmosphere

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 4 h / 20 °C / Inert atmosphere

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane;
DOI:10.1039/c6cc07627k