n-(2-Aminophenyl)methanesulfonamide

Base Information

• Chemical Name: n-(2-Aminophenyl)methanesulfonamide
• CAS No.: 37073-18-0
• Molecular Formula: C7H10N2O2S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• European Community (EC) Number: 825-453-9
• NSC Number: 48642
• DSSTox Substance ID: DTXSID20287018
• Wikidata: Q82022911
• Mol file: 37073-18-0.mol

Synonyms:n-(2-aminophenyl)methanesulfonamide;37073-18-0;2-(METHYLSULFONAMIDO)ANILINE;Methanesulfonamide, N-(2-aminophenyl)-;MFCD09045405;NSC48642;SCHEMBL449212;DTXSID20287018;AMY20126;NSC-48642;STL411817;AKOS000113598;AS-31519;SY003558;CS-0116833;FT-0730175;EN300-29576;Z235362831

Chemical Property of n-(2-Aminophenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 8.78E-05mmHg at 25°C
• Refractive Index: 1.637
• Boiling Point: 340.1 °C at 760 mmHg
• Flash Point: 159.5 °C
• PSA: 80.57000
• Density: 1.408 g/cm³
• LogP: 2.37530
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.04629874
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC=C1N

Technology Process of n-(2-Aminophenyl)methanesulfonamide

There total 5 articles about n-(2-Aminophenyl)methanesulfonamide 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: 100.0%

N-(2-nitrophenyl)methanesulfonamide (85150-03-4) → N-(2-aminophenyl)methanesulfonamide (37073-18-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 18h;

Reference yield: 81.0%

methanesulfonyl chloride (124-63-0) + 1,2-diamino-benzene (95-54-5) → N-(2-aminophenyl)methanesulfonamide (37073-18-0)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/adsc.201100370

Reference yield:

2-nitro-aniline (88-74-4) → N-(2-aminophenyl)methanesulfonamide (37073-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / 20 h / 0 - 20 °C

1.2: 2 h / 20 °C

2.1: palladium 10% on activated carbon; hydrogen / methanol / 4 h

With pyridine; palladium 10% on activated carbon; hydrogen; In methanol;

upstream raw materials:

methanesulfonyl chloride

1,2-diamino-benzene

N-(2-nitrophenyl)methanesulfonamide

2-nitro-aniline

Refernces

• 1、 -. "Amide type organic nitrogen ligand compound and synthesis method thereof". Paragraph 0019; 0020; 0021; 0022; 0023. . Retrieved 2018/06/28.
• 2、 -. "Heteroaromatic compound and application thereof to drug". Paragraph 0453; 0849; 0850; 0851; 0852. . Retrieved 2017/07/31.