N-Methyl-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-Methyl-2-nitrobenzenesulfonamide
• CAS No.: 23530-40-7
• Molecular Formula: C7H8N2O4S
• Molecular Weight: 216.218
• Hs Code.: 2935009090
• European Community (EC) Number: 817-106-5
• NSC Number: 100347
• DSSTox Substance ID: DTXSID10295208
• Wikidata: Q82034998
• Mol file: 23530-40-7.mol

Synonyms:N-Methyl-2-nitrobenzenesulfonamide;23530-40-7;N-Methyl-2-nitro-benzenesulfonamide;Benzenesulfonamide, N-methyl-2-nitro-;N-Methyl-2-nitrobenzenesulphonamide;MFCD01115621;N-methyl-2-nitrobenzene-1-sulfonamide;2-nitro-N-methylbenzenesulfonamide;NSC100347;2-[(Methylamino)sulphonyl]nitrobenzene;NCIOpen2_006761;SCHEMBL46064;AMY5137;DTXSID10295208;CS-M2486;YAA53040;N-Methyl-2-nitrobenzenesulfonamide #;STK044471;BenzenesulfonaMide,N-Methyl-2-nitro-;AKOS000139802;EB-0733;NSC-100347;SB79080;SY157714;FT-0680956;3-AMINO-5-CYANO-BENZOICACIDMETHYLESTER;EN300-155501;W10952;AG-690/11632139;N~1~-METHYL-2-NITRO-1-BENZENESULFONAMIDE;J-015141;J-523648;Z45527658

Chemical Property of N-Methyl-2-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.2E-06mmHg at 25°C
• Melting Point: 109-111 °C
• Refractive Index: 1.57
• Boiling Point: 378.6 °C at 760 mmHg
• PKA: 10.60±0.10(Predicted)
• Flash Point: 182.8 °C
• PSA: 100.37000
• Density: 1.423 g/cm³
• LogP: 2.49780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.02047791
• Heavy Atom Count: 14
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-2-nitrobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Technology Process of N-Methyl-2-nitrobenzenesulfonamide

There total 7 articles about N-Methyl-2-nitrobenzenesulfonamide 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: 95.0%

methylamine hydrochloride (593-51-1) + 2-Nitrobenzenesulfonyl chloride (1694-92-4) → N-methyl-2-nitrobenzenesulfonamide (23530-40-7)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; at 0 - 20 ℃; for 0.916667h;

DOI:10.1055/s-0035-1561608

Reference yield: 93.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + methylamine (74-89-5) → N-methyl-2-nitrobenzenesulfonamide (23530-40-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jacs.9b06956

Reference yield: 32.0%

→ N-methyl-2-nitrobenzenesulfonamide (23530-40-7)

Guidance literature:

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

methylamine

N-[(1S,4R)-4-(6-Chloro-purin-9-yl)-cyclopent-2-enecarbonyl]-2-nitro-benzenesulfonamide

methylamine hydrochloride

Downstream raw materials:

1-nitro-2-(p-tolyloxy)benzene

Refernces

• 1、 Faggyas, Réka J.,McGrory, Rochelle,Sutherland, Andrew. "One-pot synthesis ofN-substituted benzannulated triazolesviastable arene diazonium salts". supporting information. p. 6127 - 6140. Retrieved 2021/07/21.
• 2、 Gon?alves, Carlos R.,Lemmerer, Miran,Teskey, Christopher J.,Adler, Pauline,Kaiser, Daniel,Maryasin, Boris,González, Leticia,Maulide, Nuno. "Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles". supporting information. p. 18437 - 18443. Retrieved 2019/11/21.