Benzonitrile, 5-nitro-2-[(phenylsulfonyl)methyl]-

Base Information

Chemical Name:Benzonitrile, 5-nitro-2-[(phenylsulfonyl)methyl]-
CAS No.:89303-41-3
Molecular Formula:C₁₄H₁₀N₂O₄S
Molecular Weight:302.31
Hs Code.:
DSSTox Substance ID:DTXSID70450619
Wikidata:Q82270409

Synonyms:Benzonitrile, 5-nitro-2-[(phenylsulfonyl)methyl]-;89303-41-3;DTXSID70450619

Suppliers and Price of Benzonitrile, 5-nitro-2-[(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 Benzonitrile, 5-nitro-2-[(phenylsulfonyl)methyl]-

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:302.03612798
Heavy Atom Count:21
Complexity:519

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)[N+](=O)[O-])C#N

Technology Process of Benzonitrile, 5-nitro-2-[(phenylsulfonyl)methyl]-

There total 4 articles about Benzonitrile, 5-nitro-2-[(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:

: 7205-98-3
chloromethyl phenyl sulfone

: 619-24-9
3-nitrobenzonitrile

: 89303-51-5
4-Benzenesulfonylmethyl-3-nitro-benzonitrile

: 89303-41-3
2-Benzenesulfonylmethyl-5-nitro-benzonitrile

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

Reference yield:

: 7205-98-3
chloromethyl phenyl sulfone

: 619-24-9
3-nitrobenzonitrile

: 89303-51-5
4-Benzenesulfonylmethyl-3-nitro-benzonitrile

: 89303-41-3
2-Benzenesulfonylmethyl-5-nitro-benzonitrile

: 93244-97-4
2-cyano-6-nitrobenzyl phenyl sulfone

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

Reference yield:

: 873-55-2
sodium benzenesulfonate

: 89303-41-3
2-Benzenesulfonylmethyl-5-nitro-benzonitrile

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