Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-

Base Information

• Chemical Name: Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
• CAS No.: 113591-42-7
• Molecular Formula: C12H8N2O5S
• Molecular Weight: 292.272
• DSSTox Substance ID: DTXSID70400371
• Mol file: 113591-42-7.mol

Synonyms:113591-42-7;Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-;DTXSID70400371

Chemical Property of Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 292.01539253
• Heavy Atom Count: 20
• Complexity: 581

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-

There total 3 articles about Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- 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: 68.0%

N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide (50994-51-9) → 4-nitro-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (113591-42-7)

Guidance literature:

With SiO₂-supported NaIO₄; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2013.07.056

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-nitro-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (113591-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 5 h / 20 °C / Cooling with ice

2: SiO₂-supported NaIO₄ / dichloromethane / 2 h / 20 °C

With SiO₂-supported NaIO₄; In pyridine; dichloromethane;

DOI:10.1016/j.ejmech.2013.07.056

Reference yield:

p-aminophenol hydrochloride (51-78-5) → 4-nitro-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (113591-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 5 h / 20 °C / Cooling with ice

2: SiO₂-supported NaIO₄ / dichloromethane / 2 h / 20 °C

With SiO₂-supported NaIO₄; In pyridine; dichloromethane;

DOI:10.1016/j.ejmech.2013.07.056

upstream raw materials:

4-Nitrobenzenesulfonyl chloride

N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide

p-aminophenol hydrochloride

Downstream raw materials:

N-(3-((7H-purin-6-yl)thio)-4-hydroxyphenyl)-4-nitrobenzenesulfonamide

N-(3-((1H-1,2,4-triazol-5-yl)thio)-4-hydroxyphenyl)-4-nitrobenzenesulfonamide

N-(4-hydroxy-3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)phenyl)-4-nitrobenzenesulfonamide

N-(3-((1,3,4-thiadiazol-2-yl)thio)-4-hydroxyphenyl)-4-nitrobenzenesulfonamide

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