2-[(Methylsulfanyl)methyl]aniline

Base Information

• Chemical Name: 2-[(Methylsulfanyl)methyl]aniline
• CAS No.: 34774-84-0
• Molecular Formula: C8H11NS
• Molecular Weight: 153.248
• European Community (EC) Number: 833-407-4
• DSSTox Substance ID: DTXSID90493821
• Nikkaji Number: J1.105.451J
• Wikidata: Q82340783
• Mol file: 34774-84-0.mol

Synonyms:2-[(methylsulfanyl)methyl]aniline;34774-84-0;2-(methylsulfanylmethyl)aniline;o-Methylthiomethylaniline;2-methylthiomethylaniline;2-(methylthiomethyl)aniline;SCHEMBL5597411;DTXSID90493821;OKGQEPLDIUYWGI-UHFFFAOYSA-N;AKOS010251627;[2-(methylsulfanyl-methyl)-phenyl]-amine;EN300-135663;Z732207148

Chemical Property of 2-[(Methylsulfanyl)methyl]aniline

Chemical Property:

• PSA: 51.32000
• LogP: 2.71300
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

2-[(methylsulfanyl)methyl]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC1=CC=CC=C1N

Technology Process of 2-[(Methylsulfanyl)methyl]aniline

There total 12 articles about 2-[(Methylsulfanyl)methyl]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: 73.0%

dimethylsulfide (75-18-3) + aniline (62-53-3) → 2-methylthiomethylaniline (34774-84-0)

Guidance literature:

With N-chloro-succinimide; triethylamine; In dichloromethane; Heating;

DOI:10.1021/jo00198a025

Reference yield: 60.0%

trifluoroacetic acid (76-05-1) + S,S-dimethylanilinosulfonium picrate → 2,2,2-trifluoro-N-phenylacetamide (404-24-0) + 2-methylthiomethylaniline (34774-84-0) + aniline (62-53-3)

Guidance literature:

In methanol; at 20 ℃; for 20h;

DOI:10.1039/a803039a

Reference yield: 35.0%

dimethylsulfide (75-18-3) + Phenyl azide (622-37-7) → 2-methylthiomethylaniline (34774-84-0)

Guidance literature:

at 155 ℃;

DOI:10.1039/c39820000763

upstream raw materials:

methyl-2-nitrotolyl sulfide

dimethyl sulfoxide

aniline

dimethylsulfide

Downstream raw materials:

(E)-ethyl pyruvate 2-(2-methylthiomethylphenyl)hydrazone

o-toluidine

o-aminobenzyl chloride hydrochloride

2'-<(Methylsulfinyl)methyl>acetanilide