1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene

Base Information

Chemical Name:1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene
CAS No.:89303-33-3
Molecular Formula:C14H13NO4S
Molecular Weight:291.328
Hs Code.:
DSSTox Substance ID:DTXSID30532400
Wikidata:Q82404968

Synonyms:89303-33-3;1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene;DTXSID30532400

Suppliers and Price of 1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:291.05652907
Heavy Atom Count:20
Complexity:431

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)CS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene

There total 3 articles about 1-[(Benzenesulfonyl)methyl]-3-methyl-2-nitrobenzene 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: 22.0%

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

: 7205-98-3
chloromethyl phenyl sulfone

: 89303-27-5
4-Benzenesulfonylmethyl-2-methyl-1-nitro-benzene

: 89303-33-3
2-nitro-3-methylbenzyl phenyl sulfone

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; for 1h; Yields of byproduct given; Ambient temperature;
DOI:10.1021/jo00183a003

Reference yield: 15.0%

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

: 7205-98-3
chloromethyl phenyl sulfone

: 16968-19-7
2,2'-dinitrobibenzyl

: 89303-33-3
2-nitro-3-methylbenzyl phenyl sulfone

Guidance literature:: With potassium tert-butylate; acetic acid; In tetrahydrofuran; at -50 - 20 ℃; for 0.5h;
DOI:10.1016/S0040-4020(01)91141-X

Reference yield:

: 873-55-2
sodium benzenesulfonate

: 89303-33-3
2-nitro-3-methylbenzyl phenyl sulfone

Guidance literature:: Multi-step reaction with 2 steps

1: 59 percent / dimethylsulfoxide / 4 h / Heating

2: KOH / dimethylsulfoxide / 1 h / Ambient temperature

With potassium hydroxide; In dimethyl sulfoxide;
DOI:10.1021/jo00183a003