3-Methyl-4-(methylsulfanyl)aniline

Base Information

• Chemical Name: 3-Methyl-4-(methylsulfanyl)aniline
• CAS No.: 70611-05-1
• Molecular Formula: C8H11NS
• Molecular Weight: 153.248
• DSSTox Substance ID: DTXSID20577527
• Wikidata: Q82467562
• Mol file: 70611-05-1.mol

Synonyms:70611-05-1;3-Methyl-4-(methylsulfanyl)aniline;SCHEMBL7741686;DTXSID20577527

Chemical Property of 3-Methyl-4-(methylsulfanyl)aniline

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N)SC

Technology Process of 3-Methyl-4-(methylsulfanyl)aniline

There total 7 articles about 3-Methyl-4-(methylsulfanyl)aniline 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: 67.0%

methanol (67-56-1) + 4-amino-2-methylphenyl thiocyanate (33192-11-9) → 4-amino-2-methylphenyl methyl sulphide (70611-05-1)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In acetonitrile; at 20 ℃; for 20h; Electrolysis; Inert atmosphere; Green chemistry;

DOI:10.1039/d0gc00591f

Reference yield: 59.0%

methanol (67-56-1) + 1-amino-3-methylbenzene (108-44-1) → 4-amino-2-methylphenyl methyl sulphide (70611-05-1)

Guidance literature:

With potassium thioacyanate; In water; at 20 ℃; for 20h; Electrolysis; Inert atmosphere; Green chemistry;

DOI:10.1039/d0gc00591f

Reference yield: 42.0%

dimethyl sulfoxide (67-68-5,8070-53-9) + 1-amino-3-methylbenzene (108-44-1) → 4-amino-2-methylphenyl methyl sulphide (70611-05-1)

Guidance literature:

With ammonium iodide; In water; at 140 ℃; for 16h; regioselective reaction; Sealed tube;

DOI:10.1039/c5ob01679g

upstream raw materials:

2-methyl-1-methylsulfanyl-4-nitrobenzene

dimethylsulfide

1-azido-3-methylbenzene

2-methyl-4-nitro-phenyl thiocyanate

Downstream raw materials:

4-(methylthio)-m-cresol

4-(methylthio)-N,N,3-trimethylaniline

tert-butyl 3-cyano-4-(3-methyl-4-(methylthio)phenylamino)phenylsulfonyl-carbamate

4-hydroxy-2-methyl(methylsulfonyl)benzene