2-METHYL-5-(METHYLSULFONYL)ANILINE

Base Information

• Chemical Name: 2-METHYL-5-(METHYLSULFONYL)ANILINE
• CAS No.: 1671-48-3
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.247
• Hs Code.: 2921430090
• Mol file: 1671-48-3.mol

Synonyms:2-METHYL-5-(METHYLSULFONYL)ANILINE ;[2-methyl-5-(methylsulfonyl)phenyl]amine

Chemical Property of 2-METHYL-5-(METHYLSULFONYL)ANILINE

Chemical Property:

• Melting Point: 117-118 °C(Solv: methanol (67-56-1))
• Boiling Point: 397.4±42.0 °C(Predicted)
• PKA: 2.51±0.10(Predicted)
• PSA: 68.54000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 2.64270
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-5-(methylsulfonyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-METHYL-5-(METHYLSULFONYL)ANILINE

There total 5 articles about 2-METHYL-5-(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: 99.0%

1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene (1671-49-4) → 2‐methyl‐5‐(methylsulfonyl)aniline (1671-48-3)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate; for 1.25h; under 3800.26 Torr;

Reference yield:

Methyl p-tolyl sulfone (3185-99-7) → 2‐methyl‐5‐(methylsulfonyl)aniline (1671-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HNO₃; H₂SO₄

2: iron; aqueous HCl

With hydrogenchloride; sulfuric acid; nitric acid; iron;

DOI:10.1021/ja01511a020

Reference yield:

5-Methylsulfonyl-2-methyl-acetanilid (1671-40-5) → 2‐methyl‐5‐(methylsulfonyl)aniline (1671-48-3)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene

5-Methylsulfonyl-2-methyl-acetanilid

Methyl p-tolyl sulfone

N-(2-methylphenyl)acetamide

Downstream raw materials:

2-iodo-1-methyl-4-(methylsulfonyl)benzene

1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene

2-Chloro-N-(2-methyl-5-methanesulphonylphenyl)acetamide

Refernces

• 1、 Crosignani, Stefano,Prêtre, Adeline,Jorand-Lebrun, Catherine,Fraboulet, Ga?le,Seenisamy, Jeyaprakashnarayanan,Augustine, John Kallikat,Missotten, Marc,Humbert, Yves,Cleva, Christophe,Abla, Nada,Daff, Hamina,Schott, Olivier,Schneider, Manfred,Burgat-Charvillon, Fabienne,Rivron, Delphine,Hamernig, Ingrid,Arrighi, Jean-Fran?ois,Gaudet, Marilène,Zimmerli, Simone C.,Juillard, Pierre,Johnson, Zoe. "Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases". supporting information; experimental part. p. 7299 - 7317. Retrieved 2011/12/15.