(2-Phenylethyl)propylamine

Base Information

• Chemical Name: (2-Phenylethyl)propylamine
• CAS No.: 27906-91-8
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID40389740
• Nikkaji Number: J551.842C
• ChEMBL ID: CHEMBL46232
• Mol file: 27906-91-8.mol

Synonyms:(2-Phenylethyl)propylamine;27906-91-8;Phenethyl-propyl-amine;(2-phenylethyl)(propyl)amine;N-(2-phenylethyl)propan-1-amine;CHEMBL46232;Propylphenethylamine;2-phenylethylpropyl amine;N-propyl-N-phenethylamine;SCHEMBL273721;N-propyl-(beta-phenylethyl)amine;DTXSID40389740;IIIRPZWDICEMGU-UHFFFAOYSA-N;HMS1684H12;CBA90691;BDBM50047896;MFCD03724002;AKOS000172841;(2-Phenylethyl)propylamine, AldrichCPR;BS-37485;Z90518163

Chemical Property of (2-Phenylethyl)propylamine

Chemical Property:

• Vapor Pressure: 0.036mmHg at 25°C
• Boiling Point: 241.4oC at 760 mmHg
• PKA: 10.38±0.19(Predicted)
• Flash Point: 101.1oC
• PSA: 12.03000
• Density: 0.904g/cm3
• LogP: 2.61960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

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

(2-phenylethyl)(propyl)amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNCCC1=CC=CC=C1
• Uses: (2-Phenylethyl)(propyl)amine can be used as dopamine agonists.

Technology Process of (2-Phenylethyl)propylamine

There total 17 articles about (2-Phenylethyl)propylamine 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: 81.0%

propylamine (107-10-8,42939-71-9) + 2-phenylethanol (60-12-8) → N-propyl-2-phenylethylamine (27906-91-8)

Guidance literature:

With C₆₁H₄₅N₃OP₂RuS; potassium hydroxide; In toluene; at 110 ℃; for 12h; Schlenk technique;

DOI:10.1016/j.ica.2020.119864

Reference yield: 68.0%

propan-1-ol (71-23-8) + phenethylamine (64-04-0) → N-propyl-2-phenylethylamine (27906-91-8)

Guidance literature:

With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium); In water; at 115 ℃; for 10h; Inert atmosphere;

DOI:10.1039/b923083a

Reference yield: 40.0%

1-iodo-propane (107-08-4) + phenethylamine (64-04-0) → N-propyl-2-phenylethylamine (27906-91-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 3.5h; Heating / reflux;

upstream raw materials:

propan-1-ol

phenethylamine

propylamine

1-phenyl-2-bromoethane

Downstream raw materials:

N,N-di(2-phenylethyl)-N-propyl-amine

C₁₂H₁₆ClNO

N-Phenaethyl-N-propyl-bernsteinsaeure-aethylester-amid

1-Propyl-1-phenaethyl-biuret