2-(Benzylthio)ethanamine

Base Information

• Chemical Name: 2-(Benzylthio)ethanamine
• CAS No.: 1007-54-1
• Molecular Formula: C9H13 N S
• Molecular Weight: 167.275
• Hs Code.: 2930909090
• European Community (EC) Number: 818-414-2
• NSC Number: 39323
• DSSTox Substance ID: DTXSID50905677
• Nikkaji Number: J238.835I
• Wikidata: Q82874199
• Mol file: 1007-54-1.mol

Synonyms:2-(benzylthio)ethanamine;1007-54-1;2-(benzylsulfanyl)ethanamine;2-(benzylsulfanyl)ethan-1-amine;2-(benzylthio)ethylamine;2-benzylsulfanylethanamine;2-(Benzylthio)ethan-1-amine;S-benzylcysteamine;NSC39323;ACETONEAZINE;2-benzylthioethylamine;2-benzylthio ethylamine;2-benzylsulfanyl-ethylamine;SCHEMBL68470;DTXSID50905677;PNCWHIAZZSDHPU-UHFFFAOYSA-N;HMS1749K10;MFCD00981957;NSC-39323;STK825983;AKOS000206766;AT38291;BB 0259446;CS-0439705;FT-0737304;EN300-13054

Chemical Property of 2-(Benzylthio)ethanamine

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Boiling Point: 270.5°Cat760mmHg
• Flash Point: 117.4°C
• PSA: 51.32000
• Density: 1.069g/cm³
• LogP: 2.57880
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 167.07687059
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Benzylthio)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Benzylthio)ethanamine

There total 25 articles about 2-(Benzylthio)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: 96.0%

2-chloroethanamine hydrochloride (870-24-6) + phenylmethanethiol (100-53-8) → 2-benzylsulfanyl-ethylamine (1007-54-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Reflux; Inert atmosphere;

DOI:10.1016/j.ica.2010.10.008

Reference yield: 95.0%

2-<2-(Benzylthio)ethyl>-1H-isoindole-1,3(2H)-dione (52096-63-6) → 2-benzylsulfanyl-ethylamine (1007-54-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Heating;

Reference yield: 90.0%

2-mercaptoethylamine hydrochloride (156-57-0) + benzyl chloride (100-44-7) → 2-benzylsulfanyl-ethylamine (1007-54-1)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 35 ℃; for 0.666667h;

DOI:10.1016/j.tetlet.2009.01.133

upstream raw materials:

ethyleneimine

phenylmethanethiol

2-<2-(Benzylthio)ethyl>-1H-isoindole-1,3(2H)-dione

benzyl chloride

Downstream raw materials:

2-<2-(Benzylthio)ethyl>-1H-isoindole-1,3(2H)-dione

D-pantothenic acid-(2-benzylsulfanyl-ethylamide)

N-(2-benzylsulfanyl-ethyl)-benzamide

benzylidene-(2-benzylsulfanyl-ethyl)-amine

Refernces

• 1、 Moffatt,J.G.,Khorana,H.G.. "-". . p. 663 - 675. Retrieved 1961.
• 2、 Baddiley,Thain. "-". . p. 800,802. Retrieved 1952.
• 3、 Ghosh, Ayon Kanti,Ali, Anzar,Singh, Yogesh,Purohit, Chandra Shekhar,Ghosh, Rajarshi. "Synthesis, structural and magnetic characterizations of a dinuclear copper(II) complex with an (N,S,O) donor ligand: Catecholase and phenoxazinone synthase activities". . p. 156 - 163. Retrieved 2018.
• 4、 Shinya, Susumu,Kawai, Kentaro,Tarui, Atsushi,Karuo, Yukiko,Sato, Kazuyuki,Matsuda, Masaya,Kitatani, Kazuyuki,Kobayashi, Naoki,Nabe, Takeshi,Otsuka, Masato,Omote, Masaaki. "Importance of the azole moiety of cimetidine derivatives for the inhibition of human multidrug and toxin extrusion transporter 1 (hmate1)". . p. 905 - 912. Retrieved 2021/09/06.