N-methyl-2'-nitro-p-toluenesulfonanilide

Base Information

• Chemical Name: N-methyl-2'-nitro-p-toluenesulfonanilide
• CAS No.: 6892-25-7
• Molecular Formula: C14H14 N2 O4 S
• Molecular Weight: 306.342
• European Community (EC) Number: 668-618-9
• NSC Number: 86610
• DSSTox Substance ID: DTXSID30292976
• Nikkaji Number: J1.415.813H
• Wikidata: Q82031507
• Mol file: 6892-25-7.mol

Synonyms:N-methyl-2'-nitro-p-toluenesulfonanilide;6892-25-7;NSC86610;SCHEMBL6831970;DTXSID30292976;HCEKZXBXGWJIFU-UHFFFAOYSA-N;NSC-86610;AKOS024337283

Chemical Property of N-methyl-2'-nitro-p-toluenesulfonanilide

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Boiling Point: 459.5°Cat760mmHg
• Flash Point: 231.7°C
• Density: 1.36g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 306.06742811
• Heavy Atom Count: 21
• Complexity: 460

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)N(C)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of N-methyl-2'-nitro-p-toluenesulfonanilide

There total 8 articles about N-methyl-2'-nitro-p-toluenesulfonanilide 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: 89.0%

4-methyl-N-(2-nitrophenyl)benzene sulfonamide (6380-13-8) + dimethyl sulfate (77-78-1) → toluene-4-sulfonic acid-(N-methyl-2-nitro-anilide) (6892-25-7)

Guidance literature:

4-methyl-N-(2-nitrophenyl)benzene sulfonamide; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

4-methyl-N-(2-nitrophenyl)benzene sulfonamide (6380-13-8) → toluene-4-sulfonic acid-(N-methyl-2-nitro-anilide) (6892-25-7)

Guidance literature:

With dimethyl sulfate; In water; N,N-dimethyl-formamide;

Reference yield:

2-nitro-aniline (88-74-4) → toluene-4-sulfonic acid-(N-methyl-2-nitro-anilide) (6892-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; DMAP / Heating

2: NaOH; H₂O; Bu₄NHSO₄ / Heating

With pyridine; dmap; sodium hydroxide; water; tetra(n-butyl)ammonium hydrogensulfate; 1: Tosylation / 2: Methylation;

upstream raw materials:

N-methyl-N-phenyltoluenesulfonamide

4-methyl-N-(2-nitrophenyl)benzene sulfonamide

dimethyl sulfate

2-nitro-aniline

Downstream raw materials:

2-nitro-N-methylaniline

toluene-4-sulfonic acid-(2-amino-N-methyl-anilide)

1-(2-methylamino-phenyl)-imidazolidine-2,4-dione

3-methyl-1-(2-methylamino-phenyl)-imidazolidine-2,4-dione