2-(Methylsulfonyl)aniline

Base Information

• Chemical Name: 2-(Methylsulfonyl)aniline
• CAS No.: 2987-49-7
• Molecular Formula: C7H9 N O2 S
• Molecular Weight: 207.681
• Hs Code.: 2921420090
• NSC Number: 55747
• DSSTox Substance ID: DTXSID90942788
• Nikkaji Number: J424.514H
• Wikidata: Q82919793
• Mol file: 2987-49-7.mol

Synonyms:2-(methylsulfonyl)aniline;2987-49-7;2-methylsulfonylaniline;2-(Methylsulphonyl)aniline;2-methanesulfonylaniline;2-(methylsulfonyl)benzenamine;Benzenamine, 2-(methylsulfonyl)-;MFCD08444390;2-(methylsulfonyl)phenylamine;2-Aminophenyl methyl sulphone;NSC55747;2-Methyl-sulfonylanilin;2-(Methanesulfonyl)anilinato;2-methanesulfonyl-phenylamine;SCHEMBL857162;DTXSID90942788;AC1456;NSC-55747;AKOS000206761;PS-3911;AM806834;SY130679;2-Methanesulfonyl-phenylamine;hydrochloride;CS-0120048;FT-0691279;EN300-25505;A900999;AE-508/43280886;J-017675;Z210801860

Chemical Property of 2-(Methylsulfonyl)aniline

Chemical Property:

• Melting Point: 85-92 °C
• Boiling Point: 377.1°Cat760mmHg
• PKA: 0.07±0.10(Predicted)
• Flash Point: 181.9°C
• PSA: 68.54000
• Density: 1.282g/cm³
• LogP: 2.33430
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

98.5% ^*data from raw suppliers

2-(Methylsulphonyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1N

Technology Process of 2-(Methylsulfonyl)aniline

There total 20 articles about 2-(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: 96.0%

1-(methylsulfonyl)-2-nitrobenzene (2976-34-3) → 2-(methylsulfonyl)aniline (2987-49-7)

Guidance literature:

palladium-carbon; In ethanol;

Reference yield: 87.16%

2-(methylsulfonyl)acetanilide (64856-26-4) → 2-(methylsulfonyl)aniline (2987-49-7)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield: 86.0%

N-(2-(methylsulfonyl)phenyl)acetamide (20628-27-7) → 2-(methylsulfonyl)aniline (2987-49-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 8h; Heating;

DOI:10.1021/jo00255a005

upstream raw materials:

1-(methylsulfonyl)-2-nitrobenzene

N-(2-(methylsulfonyl)phenyl)acetamide

N-(2-methanesulfonyl-phenyl)-hydroxylamine

acetic acid

Downstream raw materials:

N-(2-methanesulfonyl-phenyl)-N'-methyl-thiourea

α--phenylessigsaeure

1-iodo-2-(methylsulfonyl)benzene

2-Methanesulfonyl-benzenesulfonyl chloride

Refernces

• 1、 Widger, Leland R.,Siegler, Maxime A.,Goldberg, David P.. "Sulfide oxidation by O2: Synthesis, structure and reactivity of novel sulfide-incorporated Fe(II) bis(imino)pyridine complexes". . p. 179 - 189. Retrieved 2013/07/26.
• 2、 -. "Process for the preparation of 2-[alkyl(aryl)]sulfonylbenzene-sulfonyl chlorides and their intermediates". . . Retrieved 2008/06/13.