3-(METHYLSULFONYL)ANILINE

Base Information

• Chemical Name: 3-(METHYLSULFONYL)ANILINE
• CAS No.: 35216-39-8
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2921420090
• Mol file: 35216-39-8.mol

Synonyms:3-methanesulfonephenylamine;3-(Methylsulfonyl)aniline;3-Aminophenyl-methylsulfon;3-methanesulfonylaniline;3-methanesulfonyl-phenylamine;3-(methylsulfonyl)phenylamine;3-methanesulphonyl-phenylamine;

Chemical Property of 3-(METHYLSULFONYL)ANILINE

Chemical Property:

• Vapor Pressure: 1.03E-06mmHg at 25°C
• Melting Point: 72 °C
• Boiling Point: 403.3oC at 760 mmHg
• PKA: 2.66±0.10(Predicted)
• Flash Point: 197.7oC
• PSA: 68.54000
• Density: 1.282g/cm3
• LogP: 2.33430
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

97% ^*data from raw suppliers

3-(Methanesulfonyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(Methylsulfonyl)aniline is used in the preparation of substituted pyrazolopyrimidines as IRAK4 kinase inhibitors.

Technology Process of 3-(METHYLSULFONYL)ANILINE

There total 10 articles about 3-(METHYLSULFONYL)ANILINE 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: 93.0%

1-methanesulfonyl-3-nitro-benzene (2976-32-1) → 3-(methylsulfonyl)aniline (35216-39-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 1.5h; under 1520 - 2280 Torr;

DOI:10.1021/jm00167a012

Reference yield: 92.0%

3-methylmercaptoaniline (1783-81-9) → 3-(methylsulfonyl)aniline (35216-39-8)

Guidance literature:

With sodium tungstate; dihydrogen peroxide; acetic acid; In water; at 65 ℃; for 1.5h;

Reference yield: 92.0%

→ 3-(methylsulfonyl)aniline (35216-39-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; C₁₆H₁₈N₂O₂; In dimethyl sulfoxide; at 90 ℃; for 24h; Schlenk technique; Inert atmosphere;

upstream raw materials:

1-bromo-2-(methylsulfonyl)benzene

1-methanesulfonyl-3-nitro-benzene

3-methylmercaptoaniline

3-Nitrophenylsulfonylessigsaeure

Downstream raw materials:

1-[3-(methylsulfonyl)phenyl]methanamine

3-methylsulfonylbenzamidine hydrochloride

5-(4-chloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (3-methanesulfonyl-phenyl)-amide

4-[(3-methanesulfonylphenyl)hydrazono]-4H-pyrazole-3,5-diamine