N,N-Dimethyl-4-[(methylthio)methyl]benzenamine

Base Information

• Chemical Name: N,N-Dimethyl-4-[(methylthio)methyl]benzenamine
• CAS No.: 16158-89-7
• Molecular Formula: C₁₀H₁₅NS
• Molecular Weight: 181.302
• DSSTox Substance ID: DTXSID101247496
• Nikkaji Number: J1.880.404B
• Mol file: 16158-89-7.mol

Synonyms:SCHEMBL11023199;DTXSID101247496;16158-89-7;N,N-Dimethyl-4-[(methylthio)methyl]benzenamine

Chemical Property of N,N-Dimethyl-4-[(methylthio)methyl]benzenamine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.09252066
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)CSC

Technology Process of N,N-Dimethyl-4-[(methylthio)methyl]benzenamine

There total 2 articles about N,N-Dimethyl-4-[(methylthio)methyl]benzenamine 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-(dimethylamino)-1-(chloromethyl)-benzene (42600-58-8) + sodium thiomethoxide (5188-07-8) → N,N-dimethyl-4-(methylsulfanyl-methyl)-aniline (16158-89-7)

Guidance literature:

DOI:10.1039/jr9560004954

Reference yield:

→ N,N-dimethyl-4-(methylsulfanyl-methyl)-aniline (16158-89-7)

Guidance literature:

Trimethyl-(4-dimethylamino-benzyl)-ammonium-jodid u. Na-methylmercaptid (Methanol, N2), daneben Trimethylamin;

Reference yield:

N,N-dimethyl-4-(methylsulfanyl-methyl)-aniline (16158-89-7) → p-(dimethylaminophenyl)benzyl methyl sulfone (104398-23-4)

Guidance literature:

With dihydrogen peroxide; acetic acid;

upstream raw materials:

4-(dimethylamino)-1-(chloromethyl)-benzene

sodium thiomethoxide

Downstream raw materials:

p-(dimethylaminophenyl)benzyl methyl sulfone