Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-

Base Information

Chemical Name:Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-
CAS No.:90764-86-6
Molecular Formula:C8H9NO4S
Molecular Weight:215.23
Hs Code.:
DSSTox Substance ID:DTXSID20471733
Wikidata:Q82300380

Synonyms:90764-86-6;2-Methyl-1-(methylsulfonyl)-3-nitrobenzene;Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-;SCHEMBL9356245;DTXSID20471733

Suppliers and Price of Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-

Supply Marketing:

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

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Chemical Property of Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-

Chemical Property:

PSA：88.34000
LogP:2.91070
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:215.02522894
Heavy Atom Count:14
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC=C1S(=O)(=O)C)[N+](=O)[O-]

Technology Process of Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro-

There total 5 articles about Benzene, 2-methyl-1-(methylsulfonyl)-3-nitro- 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:

: 88-72-2
1-methyl-2-nitrobenzene

: 124-63-0
methanesulfonyl chloride

: 1671-49-4
1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene

: 90764-86-6
2-nitro-6-methylsulphonyltoluene

Guidance literature:: With aluminum (III) chloride; tetrabutyl-ammonium chloride; at 160 ℃; for 16h; Temperature; Inert atmosphere; Large scale;

Reference yield:

: 82173-72-6
2-nitro-6-(methylthio)toluene

: 90764-86-6
2-nitro-6-methylsulphonyltoluene

Guidance literature:: With peracetic acid; In acetic acid;
DOI:10.1016/S0040-4020(01)93206-5

Reference yield:

2-bromo-6-nitrotoluene: 55289-35-5
2-bromo-6-nitrotoluene

: 90764-86-6
2-nitro-6-methylsulphonyltoluene

Guidance literature:: Multi-step reaction with 2 steps

1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 100 °C / Inert atmosphere

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 20 °C

With 3-chloro-benzenecarboperoxoic acid; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In dichloromethane; toluene;