2-[(2-Chlorobenzyl)thio]ethanamine

Base Information

• Chemical Name: 2-[(2-Chlorobenzyl)thio]ethanamine
• CAS No.: 42416-23-9
• Molecular Formula: C9H12 Cl N S
• Molecular Weight: 201.7197
• Hs Code.: 2930909090
• European Community (EC) Number: 806-086-3
• NSC Number: 35755
• DSSTox Substance ID: DTXSID90284115
• Wikidata: Q82018935
• ChEMBL ID: CHEMBL1376952
• Mol file: 42416-23-9.mol

Synonyms:42416-23-9;2-[(2-Chlorobenzyl)thio]ethanamine;2-[(2-Chlorobenzyl)thio]ethylamine;2-[(2-chlorophenyl)methylsulfanyl]ethanamine;NSC35755;2-((2-chlorobenzyl)thio)ethanamine;2-{[(2-chlorophenyl)methyl]sulfanyl}ethan-1-amine;NSC-35755;Ethanamine,2-[[(2-chlorophenyl)methyl]thio]-;2-[(2-chlorobenzyl)sulfanyl]ethanamine;NCIStruc1_000458;NCIStruc2_000539;CHEMBL1376952;SCHEMBL10952426;DTXSID90284115;NCI35755;CCG-37926;MFCD01764943;NCGC00013412;STK825987;AKOS000167407;{2-[(2-chlorobenzyl)thio]ethyl}amine;PS-4640;SB76843;2-((2-Chlorobenzyl)thio)ethan-1-amine;NCGC00013412-02;NCGC00096527-01;NCI60_003233;CS-0452438;2-[(2-chlorobenzyl)thio]ethanamine, AldrichCPR

Chemical Property of 2-[(2-Chlorobenzyl)thio]ethanamine

Chemical Property:

• Vapor Pressure: 0.000961mmHg at 25°C
• Boiling Point: 160 °C
• Flash Point: 137°C
• PSA: 51.32000
• Density: 1.198g/cm³
• LogP: 3.23220
• Sensitive.: Air Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 201.0378983
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-Chlorobenzyl)thio]ethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CSCCN)Cl

Technology Process of 2-[(2-Chlorobenzyl)thio]ethanamine

There total 4 articles about 2-[(2-Chlorobenzyl)thio]ethanamine 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:

2-mercaptoethylamine hydrochloride (156-57-0) → 2-(2-chloro-benzylsulfanyl)-ethylamine (42416-23-9)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 20 ℃; for 7h;

DOI:10.1039/d0ra07301f

Reference yield:

1-chloro-2-(2-chloroethylsulfanylmethyl)benzene (19922-85-1) → 2-(2-chloro-benzylsulfanyl)-ethylamine (42416-23-9)

Guidance literature:

With ammonia; at 140 ℃;

DOI:10.1139/v59-041

Reference yield:

2-chlorobenzyl 2-hydroxyethyl monosulfide (89040-09-5) → 2-(2-chloro-benzylsulfanyl)-ethylamine (42416-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂; benzene

2: liquid NH₃ / 140 °C

With thionyl chloride; ammonia; benzene;

DOI:10.1139/v59-041

upstream raw materials:

1-chloro-2-(2-chloroethylsulfanylmethyl)benzene

2-chlorobenzyl 2-hydroxyethyl monosulfide

1-chloro-2-(chloromethyl)benzene

2-mercaptoethylamine hydrochloride

Downstream raw materials:

2,6-dichloro-N-[2-(2-chloro-benzylsulfanyl)-ethyl]-benzamide

Refernces