N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide

Base Information

• Chemical Name: N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide
• CAS No.: 91956-16-0
• Molecular Formula: C₁₃H₁₂N₂O₅S
• Molecular Weight: 308.315
• European Community (EC) Number: 667-109-9
• NSC Number: 151200
• DSSTox Substance ID: DTXSID80393629
• Wikidata: Q82192452
• Mol file: 91956-16-0.mol

Synonyms:91956-16-0;NSC151200;N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide;DTXSID80393629;AKOS024335054;NSC-151200;2'-HYDROXY-4'-NITRO-P-TOLUENESULFONANILIDE;N-(2-hydroxy-4-nitro-phenyl)-4-methyl-benzensulfonamid

Chemical Property of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide

Chemical Property:

• Vapor Pressure: 2.29E-10mmHg at 25°C
• Boiling Point: 493.6°C at 760 mmHg
• Flash Point: 252.3°C
• Density: 1.503g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 308.04669266
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Technology Process of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide

There total 3 articles about N-(2-hydroxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide 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:

→ N-(2-hydroxy-4-nitrophenyl)-4-toluenesulfonamide (91956-16-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9310002343

Reference yield:

p-toluenesulfonyl chloride (98-59-9) + 5-Nitro-2-aminophenol (121-88-0) → N-(2-hydroxy-4-nitrophenyl)-4-toluenesulfonamide (91956-16-0)

Guidance literature:

Alkaline conditions; Inert atmosphere;

DOI:10.1007/s00706-013-0937-3

Reference yield:

→ N-(2-hydroxy-4-nitrophenyl)-4-toluenesulfonamide (91956-16-0)

Guidance literature:

2-Aminoverb. I, p-TosCl, CaCO3;

upstream raw materials:

p-toluenesulfonyl chloride

5-Nitro-2-aminophenol

Downstream raw materials:

6-Nitro-3-(4-toluenesulfonyl)-1,2,3-benzoxathiazole 2,2-dioxide