N-(2-phenylethyl)cyclopentanamine

Base Information

• Chemical Name: N-(2-phenylethyl)cyclopentanamine
• CAS No.: 160567-89-5
• Molecular Formula: C13H19N
• Molecular Weight: 189.301
• Hs Code.: 2921300090
• DSSTox Substance ID: DTXSID40406623
• Nikkaji Number: J3.510.698G
• Wikidata: Q82211681
• Mol file: 160567-89-5.mol

Synonyms:N-(2-phenylethyl)cyclopentanamine;160567-89-5;Benzeneethanamine, N-cyclopentyl-;N-phenethylcyclopentanamine;SCHEMBL3907332;DTXSID40406623;MFCD08691714;AKOS000235385;WAY-652970;BS-35751;EN300-32594;N-(2-Phenylethyl)cyclopentanamine, AldrichCPR

Chemical Property of N-(2-phenylethyl)cyclopentanamine

Chemical Property:

• Vapor Pressure: 0.00138mmHg at 25°C
• Boiling Point: 297oC at 760 mmHg
• Flash Point: 136.1oC
• PSA: 12.03000
• Density: 0.97g/cm3
• LogP: 3.15220
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

N-(2-phenylethyl)cyclopentanaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NCCC2=CC=CC=C2

Technology Process of N-(2-phenylethyl)cyclopentanamine

There total 3 articles about N-(2-phenylethyl)cyclopentanamine 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: 98.0%

phenylacetylene (536-74-3) + Cyclopentamine (1003-03-8) → N-cyclopentyl-2-phenylethylamine (160567-89-5)

Guidance literature:

phenylacetylene; Cyclopentamine; With bis(N-2,6-diisoprpylphenylbenzamidato)bis(dimethylamido)titanium (IV); In benzene; at 70 ℃; for 1h; Inert atmosphere; Glovebox; Sealed tube;

With palladium 10% on activated carbon; hydrogen; In methanol; benzene; at 20 ℃; for 3h; under 2250.23 Torr; regioselective reaction; Sealed tube;

DOI:10.1002/adsc.201500861

Reference yield: 47.0%

N-(5-benzeneselenyl-1-pentylidene)-2-phenylethylamine → 1-phenethylpiperidine (332-14-9) + N-cyclopentyl-2-phenylethylamine (160567-89-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; reflux, 30 min, then room temp., 18 h;

DOI:10.1016/0040-4020(95)00412-2

Reference yield:

Phenethyl-[5-phenylselanyl-pent-(E)-ylidene]-amine → 1-phenethylpiperidine (332-14-9) + N-cyclopentyl-2-phenylethylamine (160567-89-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; Product distribution; other homolog aldimines and ketimines;

DOI:10.1016/S0040-4039(00)73435-6

upstream raw materials:

phenylacetylene

Cyclopentamine

Refernces

• 1、 Bowman, W. Russell,Stephenson, Peter T.,Terrett, Nicholas K.,Young, Adrian R.. "Radical cyclisations of imines and hydrazones". . p. 7959 - 7980. Retrieved 2007/10/02.