Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-

Base Information

Chemical Name:Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-
CAS No.:115909-68-7
Molecular Formula:C8H9FO2S
Molecular Weight:188.223
Hs Code.:
DSSTox Substance ID:DTXSID30554485
Wikidata:Q82435497
Mol file:115909-68-7.mol

Synonyms:115909-68-7;Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-;fluoromethyl p-tolyl sulfone;1-((fluoromethyl)sulfonyl)-4-methylbenzene;1-(fluoromethylsulfonyl)-4-methylbenzene;SCHEMBL10857811;DTXSID30554485;GPSFCZMIFHDMJF-UHFFFAOYSA-N;1-(Fluoromethanesulfonyl)-4-methylbenzene;1-FLUOROMETHANESULFONYL-4-METHYLBENZENE

Suppliers and Price of Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-

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 3 raw suppliers

Chemical Property of Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.03072886
Heavy Atom Count:12
Complexity:222

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CF

Technology Process of Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-

There total 3 articles about Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl- 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: 67.0%

: sodium monofluoromethanesulfinate

: 459-44-9
4-methylbenzenediazonium tetrafluoroborate

: 115909-68-7
1-((fluoromethyl)sulfonyl)-4-methylbenzene

Guidance literature:: sodium monofluoromethanesulfinate; With copper(I) thiophene-2-carboxylate; In acetonitrile; at 20 ℃; for 0.0833333h; Inert atmosphere; Schlenk technique;

4-methylbenzenediazonium tetrafluoroborate; In acetonitrile; at 20 ℃; for 0.75h; Inert atmosphere; Schlenk technique; Sealed tube;
DOI:10.1002/cjoc.201700748

Reference yield:

: 65325-64-6
1-[(fluoromethyl)sulfanyl]-4-methylbenzene

: 115909-68-7
1-((fluoromethyl)sulfonyl)-4-methylbenzene

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 1h;
DOI:10.1246/bcsj.75.2031

Reference yield:

: 934-72-5
Methyl p-tolyl sulfoxide

: 115909-68-7
1-((fluoromethyl)sulfonyl)-4-methylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: SbCl₃; diethylaminosulfur trifluoride / CHCl₃ / 3 h / 0 °C

2: 330 mg / m-chloroperbenzoic acid / CHCl₃ / 1 h / 20 °C

With diethylamino-sulfur trifluoride; antimony(III) chloride; 3-chloro-benzenecarboperoxoic acid; In chloroform;
DOI:10.1246/bcsj.75.2031