N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine

Base Information

• Chemical Name: N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine
• CAS No.: 108934-87-8
• Molecular Formula: C8H10N2O2S
• Molecular Weight: 198.246
• DSSTox Substance ID: DTXSID40547146
• Wikidata: Q82425192
• Mol file: 108934-87-8.mol

Synonyms:108934-87-8;N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine;DTXSID40547146

Chemical Property of N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.04629874
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine

There total 1 articles about N-Methyl-N-[(4-nitrophenyl)sulfanyl]methanamine 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:

4-nitrobenzenesulfenyl chloride (937-32-6) + dimethyl amine (124-40-3) → N,N-dimethyl-4-nitrobenzene-sulfenamide (108934-87-8)

Guidance literature:

With diethyl ether;

Reference yield: 95.0%

N,N-dimethyl-4-nitrobenzene-sulfenamide (108934-87-8) + dimethyl bicyclo<2.2.1>hept-2-en-endo-cis-5,6-dicarboxylate (3014-58-2,5826-73-3,7184-07-8,39589-98-5,116404-47-8,117604-28-1,135357-64-1) → γ-lactone of exo-5-(4-nitrophenylthio)-endo-6-hydroxy-endo-3-methoxycarbonylbicyclo<2.2.1>heptane-endo-2-carboxylic acid (112128-64-0)

Guidance literature:

With sulfur trioxide; In dichloromethane; at -85 ℃; for 1h; Mechanism; 1.) -85 deg C, 1 hr., 2.) warming up to r.t.;

Reference yield: 85.0%

N,N-dimethyl-4-nitrobenzene-sulfenamide (108934-87-8) + cyclohexene (110-83-8) → trans-1,2-bromo-(p-nitrophenylthio)cyclohexane

Guidance literature:

With phosphorus(V) oxybromide; In dichloromethane; at -40 - 20 ℃;

DOI:10.1080/10426509908044968

upstream raw materials:

4-nitrobenzenesulfenyl chloride

dimethyl amine

Downstream raw materials:

N,N,N'-trimethyl-N'-(4-nitrophenylthio)sulfamide

γ-lactone of exo-5-(4-nitrophenylthio)-endo-6-hydroxy-endo-3-methoxycarbonylbicyclo<2.2.1>heptane-endo-2-carboxylic acid

C₈H₁₀N₂O₅S₂

exo-5-(p-nitrophenylthio)tricyclo<2.2.1.0^2,6>heptan-endo-3-ol dimethylsulfamate

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