2-(Phenylthio)ethanamine

Base Information

• Chemical Name: 2-(Phenylthio)ethanamine
• CAS No.: 2014-75-7
• Molecular Formula: C8H11 N S
• Molecular Weight: 153.248
• Hs Code.: 2930909090
• European Community (EC) Number: 850-180-7
• NSC Number: 203124,215186
• UNII: B0SD0G9QMH
• DSSTox Substance ID: DTXSID80173968
• Nikkaji Number: J499.895B
• Wikidata: Q83044014
• ChEMBL ID: CHEMBL1159899
• Mol file: 2014-75-7.mol

Synonyms:PAES;phenyl-2-aminoethyl sulfide;phenyl-2-aminoethyl sulfide, conjugate acid;phenylthioethylamine

Chemical Property of 2-(Phenylthio)ethanamine

Chemical Property:

• Vapor Pressure: 0.0191mmHg at 25°C
• Melting Point: 233 °C (decomp)(Solv: ethanol (64-17-5))
• Boiling Point: 252.6°Cat760mmHg
• PKA: 8.73±0.10(Predicted)
• Flash Point: 106.6°C
• PSA: 51.32000
• Density: 1.08g/cm³
• LogP: 2.43770
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

98%min ^*data from raw suppliers

2-(Phenylthio)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)SCCN

Technology Process of 2-(Phenylthio)ethanamine

There total 25 articles about 2-(Phenylthio)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: 99.0%

2-bromoethylamine hydrobromide (2576-47-8) + thiophenol (108-98-5) → 2-(phenylthio)ethanamine (2014-75-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1002/ardp.201900107

Reference yield: 98.0%

dimethylenecyclourethane (497-25-6) + thiophenol (108-98-5) → 2-(phenylthio)ethanamine (2014-75-7)

Guidance literature:

With NaOPr; In propan-1-ol; at 6 ℃; Product distribution; Heating; var. thiols; var solv. and reag.: NaOEt, t-BuOK, DBU;

DOI:10.1055/s-1997-971

Reference yield: 94.0%

4-nitro-2-(2-(phenylthio)ethyl)isoindoline-1,3-dione (41010-04-2) → 2-(phenylthio)ethanamine (2014-75-7)

Guidance literature:

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

upstream raw materials:

ethyleneimine

thiophenol

4-nitro-2-(2-(phenylthio)ethyl)isoindoline-1,3-dione

N-(2-Phenylmercapto-aethyl)-propionamid

Downstream raw materials:

N-(2-phenylsulfanyl-ethyl)-acetoacetamide

4-phenyl-3-(2-phenylsulfanyl-ethyl)-sydnone

5-[1-hydroxy-2-(2-phenylthioethylamino)ethyl]-2-methylbenzenesulfonamide

3-Butylamino-2-phenoxy-5-[(2-phenylsulfanyl-ethylamino)-methyl]-benzenesulfonamide

Refernces

• 1、 -. "SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION". Paragraph 0195. . Retrieved 2020/11/24.
• 2、 Soliman, Beatrice,Wang, Ning,Zagotto, Giuseppe,Pockes, Steffen. "Synthesis and biological evaluation of heteroalicyclic cyanoguanidines at histamine receptors". . . Retrieved 2019/08/12.