2-(Methylthio)benzylamine

Base Information

• Chemical Name: 2-(Methylthio)benzylamine
• CAS No.: 56004-83-2
• Molecular Formula: C8H11NS
• Molecular Weight: 153.248
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00371742
• Wikidata: Q82159189
• Mol file: 56004-83-2.mol

Synonyms:2-(Methylthio)benzylamine;56004-83-2;(2-methylsulfanylphenyl)methanamine;(2-(methylthio)phenyl)methanamine;[2-(Methylsulfanyl)Phenyl]Methanamine;1-[2-(methylthio)phenyl]methanamine;2-methylthiobenzylamine;2-methylthio benzylamine;2-(Methylthio)benzyl amine;2-(methylthio)-benzyl amine;SCHEMBL453383;2-(Methylsulphanyl)benzylamine;2-(methylthio)-benzenemethanamine;DTXSID00371742;YVEJLBIEESKJLG-UHFFFAOYSA-N;MFCD00831039;AKOS009158769;PS-3184;SB75896;CS-0453750;FT-0608860;EN300-183190;1-[2-(METHYLSULFANYL)PHENYL]METHANAMINE;J-500529

Chemical Property of 2-(Methylthio)benzylamine

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 139-141°C 15mm
• Flash Point: 108.1°C
• PSA: 51.32000
• Density: 1.09g/cm³
• LogP: 2.56750
• XLogP3: 1.3
• 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:

98%Min ^*data from raw suppliers

2-(Methylthio)benzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1CN

Technology Process of 2-(Methylthio)benzylamine

There total 3 articles about 2-(Methylthio)benzylamine 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: 86.4%

2-methylmercaptobenzyl bromide (89981-01-1) → 1-(2-(methylthio)phenyl)methanamine (56004-83-2)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; ethanol; at 20 ℃;

DOI:10.1039/c3ra45700a

Reference yield: 54.0%

→ 1-(2-(methylthio)phenyl)methanamine (56004-83-2)

Guidance literature:

Reference yield:

2-methylsulfanyl-benzamide (54705-16-7) → 1-(2-(methylthio)phenyl)methanamine (56004-83-2)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ja01583a037

upstream raw materials:

2-methylsulfanyl-benzamide

2-methylmercaptobenzyl bromide

Downstream raw materials:

(2-Methylsulfanyl-benzyl)-carbamic acid methyl ester

N₄-(4-dimethylaminomethyl-cyclohexylmethyl)-N₂-(2-methylsulfanyl-benzyl)-5-nitro-pyrimidine-2,4-diamine

1-(2-(methylthio)benzyl)-4-hydroxy-6-methylpyridin-2(1H)-one

Refernces

• 1、 -. "N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods". . . Retrieved 2008/06/13.