Benzenesulfenamide, N,N-diethyl-4-nitro-

Base Information

• Chemical Name: Benzenesulfenamide, N,N-diethyl-4-nitro-
• CAS No.: 112128-60-6
• Molecular Formula: C10H14N2O2S
• Molecular Weight: 226.299
• DSSTox Substance ID: DTXSID30450933
• Nikkaji Number: J917.474E
• Mol file: 112128-60-6.mol

Synonyms:Benzenesulfenamide, N,N-diethyl-4-nitro-;112128-60-6;DTXSID30450933;N-Ethyl-N-(4-nitrophenylthio)ethanamine

Chemical Property of Benzenesulfenamide, N,N-diethyl-4-nitro-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)SC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Benzenesulfenamide, N,N-diethyl-4-nitro-

There total 7 articles about Benzenesulfenamide, N,N-diethyl-4-nitro- 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: 90.0%

5-(4-Nitro-phenylsulfanyl)-cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester (122180-53-4) + diethylamine (109-89-7) → N,N-Diethyl-S-(4-nitro-phenyl)-thiohydroxylamine (112128-60-6) + C15H15O10(1-)*C4H11N*H(1+)

Guidance literature:

In benzene; for 0.5h; Ambient temperature;

Reference yield: 68.0%

p-nitrophenyl p-nitrobenzenethiosulfonate (1041-15-2) + 1-[(diethylamino)sulfanyl]-4-methylbenzol (24398-14-9) → S-(p-tolyl) 4-nitrobenzenesulfonothioate (94583-15-0) + N,N-Diethyl-S-(4-nitro-phenyl)-thiohydroxylamine (112128-60-6)

Guidance literature:

In benzene; Heating; 12-30 h;

Reference yield: 64.0%

di(p-nitrophenyl) disulfide (100-32-3) + diethylamine (109-89-7) → N,N-Diethyl-S-(4-nitro-phenyl)-thiohydroxylamine (112128-60-6)

Guidance literature:

With copper(l) iodide; air; N,N,N,N,-tetramethylethylenediamine; In dimethyl sulfoxide; at 65 ℃; for 22h;

DOI:10.1055/s-2007-984539

upstream raw materials:

N,N,S-triethyl-thiohydroxylamine

p-nitrophenyl p-nitrobenzenethiosulfonate

benzenenesulfenyl dimethylamine

S-(4-nitrophenyl) benzenesulfonothioate

Downstream raw materials:

p-nitrophenyl p-nitrobenzenethiosulfonate

S-(2,4-Dinitro-phenyl)-N,N-diethyl-thiohydroxylamine

trans-2-(4-nitrophenylthio)cyclohexyl N,N-diethylsulfamate