1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene

Base Information

Chemical Name:1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene
CAS No.:89303-53-7
Molecular Formula:C14H10F3NO4S
Molecular Weight:345.299
Hs Code.:
DSSTox Substance ID:DTXSID50532422
Wikidata:Q82405007

Synonyms:89303-53-7;DTXSID50532422;1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene

Suppliers and Price of 1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene

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]-2-nitro-4-(trifluoromethyl)benzene

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:345.02826346
Heavy Atom Count:23
Complexity:518

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene

There total 7 articles about 1-[(Benzenesulfonyl)methyl]-2-nitro-4-(trifluoromethyl)benzene 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: 82.0%

: 7205-98-3
chloromethyl phenyl sulfone

: 98-46-4
3-trifluoromethylnitrobenzene

: 89303-53-7
1-Benzenesulfonylmethyl-2-nitro-4-trifluoromethyl-benzene

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:

: 7205-98-3
chloromethyl phenyl sulfone

: 98-46-4
3-trifluoromethylnitrobenzene

: 89303-53-7
1-Benzenesulfonylmethyl-2-nitro-4-trifluoromethyl-benzene

: 89303-43-5
1-Benzenesulfonylmethyl-4-nitro-2-trifluoromethyl-benzene

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

Reference yield:

: 873-55-2
sodium benzenesulfonate

: 89303-53-7
1-Benzenesulfonylmethyl-2-nitro-4-trifluoromethyl-benzene

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