1-Propanamine, 3-(phenylthio)-

Base Information

• Chemical Name: 1-Propanamine, 3-(phenylthio)-
• CAS No.: 2015-09-0
• Molecular Formula: C9H13 N S
• Molecular Weight: 167.275
• Hs Code.: 2930909090
• NSC Number: 609588
• DSSTox Substance ID: DTXSID00942193
• Nikkaji Number: J1.134.604I
• Wikidata: Q82919162
• ChEMBL ID: CHEMBL2448870
• Mol file: 2015-09-0.mol

Synonyms:phenylthiopropylamine;phenylthiopropylamine hydrochloride

Chemical Property of 1-Propanamine, 3-(phenylthio)-

Chemical Property:

• Vapor Pressure: 0.00645mmHg at 25°C
• Boiling Point: 271.4°Cat760mmHg
• PKA: 9.70±0.10(Predicted)
• Flash Point: 118°C
• PSA: 51.32000
• Density: 1.06g/cm³
• LogP: 2.82780
• XLogP3: 2.2
• 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% ^*data from raw suppliers

3-(phenylthio)-1-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Propanamine, 3-(phenylthio)-

There total 9 articles about 1-Propanamine, 3-(phenylthio)- 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: 97.0%

3-bromopropylamine hydrochloride (5003-71-4) + thiophenol (108-98-5) → 3-(phenylthio)propylamine (2015-09-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 2.5h; Heating;

Reference yield: 97.0%

2-(3-phenylsulfanylpropyl)isoindoline-1,3-dione (85053-10-7) → 3-(phenylthio)propylamine (2015-09-0)

Guidance literature:

With sodium hydroxide; In water; for 20h; Reflux;

DOI:10.1002/ejoc.201301671

Reference yield: 90.0%

3-chloropropylamine hydrochloride (6276-54-6) + thiophenol (108-98-5) → 3-(phenylthio)propylamine (2015-09-0)

Guidance literature:

thiophenol; With sodium hydroxide; In ethanol; for 1h; Reflux;

3-chloropropylamine hydrochloride; In ethanol; for 5h; Reflux;

DOI:10.1039/c4dt01396d

upstream raw materials:

N-<3-Phenylmercapto-propyl>-propionamid

3-chloropropan-1-amine

thiophenol

2-(3-phenylsulfanylpropyl)isoindoline-1,3-dione

Downstream raw materials:

N-(3-Phenylsulfanyl-propyl)-acetamide

N-(3,5-dimethoxyphenyl)methyl-(3-phenylsulfanyl)propylamine

N-(3-phenylsulfanyl)propylbenzylamine

N-(4-methoxyphenyl)methyl-(3-phenylsulfanyl)propylamine