Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-

Base Information

Chemical Name:Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-
CAS No.:89303-27-5
Molecular Formula:C14H13NO4S
Molecular Weight:291.328
Hs Code.:
DSSTox Substance ID:DTXSID00434280
Wikidata:Q82248641

Synonyms:Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-;89303-27-5;DTXSID00434280

Suppliers and Price of Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-

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-nitro-4-[(phenylsulfonyl)methyl]-

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 Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-

There total 3 articles about Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)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: 30.0%

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

: 7205-98-3
chloromethyl phenyl sulfone

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

Guidance literature:: With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃;
DOI:10.1080/00397919408020772

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:

: 873-55-2
sodium benzenesulfonate

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

Guidance literature:: Multi-step reaction with 2 steps

1: 59 percent / dimethylsulfoxide / 4 h / Heating

2: 22 percent / KOH / dimethylsulfoxide / 1 h / Ambient temperature

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