N,4-dimethyl-N-nitrobenzenesulfonamide

Base Information

• Chemical Name: N,4-dimethyl-N-nitrobenzenesulfonamide
• CAS No.: 23114-01-4
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.244
• DSSTox Substance ID: DTXSID80350595
• Wikidata: Q82126627
• Mol file: 23114-01-4.mol

Synonyms:N,4-dimethyl-N-nitrobenzenesulfonamide;23114-01-4;N,4-dimethyl-N',N'-dioxobenzene-1-sulfonohydrazide;DTXSID80350595;STK749499;AKOS001700285;SR-01000509951;SR-01000509951-1

Chemical Property of N,4-dimethyl-N-nitrobenzenesulfonamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)[N+](=O)[O-]

Technology Process of N,4-dimethyl-N-nitrobenzenesulfonamide

There total 6 articles about N,4-dimethyl-N-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: 92.0%

N-methyl-p-toluenesulfonylamide (640-61-9) → N-methyl-N-nitroso-p-toluenesulfonamide (23114-01-4)

Guidance literature:

With nitric acid; acetic anhydride; at 0 ℃;

DOI:10.1021/jo00192a014

Reference yield: 55.0%

N-methyl-N-morpholin-4-ylmethyl-toluene-4-sulfonamide (63316-79-0) → N-nitromorpholine (4164-32-3) + N-methyl-N-nitroso-p-toluenesulfonamide (23114-01-4)

Guidance literature:

With nitronium tetrafluoborate; In acetonitrile; at 20 ℃; for 1h; Further byproducts given. Yields of byproduct given;

DOI:10.1007/BF00963423

Reference yield: 24.0%

N-methyl-N-tosylacetamide (16697-83-9) → N-methyl-N-nitroso-p-toluenesulfonamide (23114-01-4)

Guidance literature:

With nitronium tetrafluoborate; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1007/BF00949493

upstream raw materials:

N-methyl-p-toluenesulfonylamide

sodium salt of N-methyl toluenesulfonamide

N-methyl-N-tosylacetamide

N,N'-dimethyl-N,N'-methanediyl-bis-toluene-4-sulfonamide

Downstream raw materials:

(3R,4S)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate

4',5,7-trimethoxyflavanone

N,N-diethyl-4-methylbenzenesulfonamide

methanol

Refernces

• 1、 Celik, Ayhan,Sperandio, Davide,Speight, Robert E.,Turner, Nicholas J.. "Enantioselective epoxidation of linolenic acid catalysed by cytochrome P450BM3 from Bacillus megaterium". . p. 2688 - 2690. Retrieved 2007/10/03.
• 2、 Luk'yanov, O. A.,Mel'nikova, T. G.,Kriger, L. N.,Tartakovskii, V. A.. "NITRATION OF N-ALKYLAMIDES". . p. 1756 - 1759. Retrieved 2007/10/02.