N-benzylcyclopentanamine

Base Information

• Chemical Name: N-benzylcyclopentanamine
• CAS No.: 15205-23-9
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30405867
• Nikkaji Number: J2.233.908G
• Wikidata: Q72440994
• Mol file: 15205-23-9.mol

Synonyms:N-benzylcyclopentanamine;15205-23-9;N-benzyl-N-cyclopentylamine;N-Cyclopentyl-benzylamine;BENZYLCYCLOPENTYLAMINE;cyclopentylbenzylamine;SCHEMBL433970;AMY754;DTXSID30405867;PPVZYCGBQWWSKG-UHFFFAOYSA-N;MFCD04598198;AKOS000226118;WAY-652969;BB 0259498;CS-0328663;FT-0651825;C77921;AB00982263-01;A809250

Chemical Property of N-benzylcyclopentanamine

Chemical Property:

• Vapor Pressure: 0.00681mmHg at 25°C
• Melting Point: 158-159 °C
• Boiling Point: 270.5oC at 760 mmHg
• PKA: 9.95±0.20(Predicted)
• Flash Point: 118.4oC
• PSA: 12.03000
• Density: 0.98g/cm3
• LogP: 3.10970
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

N-benzylcyclopentanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NCC2=CC=CC=C2

Technology Process of N-benzylcyclopentanamine

There total 28 articles about N-benzylcyclopentanamine 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%

Benzyl acetate (140-11-4) + Cyclopentamine (1003-03-8) → N-cyclopentylacetamide (25291-41-2) + N-cyclopentylbenzylamine (15205-23-9)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate; In neat (no solvent); at 115 ℃; for 24h; Inert atmosphere; Glovebox; Green chemistry;

DOI:10.1002/adsc.201400319

Reference yield: 95.4%

benzaldehyde (100-52-7) + Cyclopentamine (1003-03-8) → N-cyclopentylbenzylamine (15205-23-9)

Guidance literature:

benzaldehyde; Cyclopentamine; In methanol; at 20 ℃; for 1h;

With sodium tetrahydroborate; In methanol; at 20 ℃;

DOI:10.1007/s12257-016-0175-8

Reference yield: 80.0%

benzonitrile (100-47-0) + nitrocyclopentane (2562-38-1) → N-cyclopentylbenzylamine (15205-23-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 8h; chemoselective reaction;

DOI:10.1039/d0cy00630k

upstream raw materials:

benzaldehyde

Cyclopentamine

N-benzyl-N-cyclopentylformamide

benzyl chloride

Downstream raw materials:

(cyclopentylmethyl)benzene

1-benzyl-1-cyclopentyl-3-phenylthiourea

C₂₀H₂₂N₄O

Refernces

• 1、 Afanasyev, Oleg I.,Biriukov, Klim O.,Chusov, Denis,Godovikova, Maria,Loginov, Dmitry A.,Nelyubina, Yulia V.,Tsygankov, Alexey A.,Vasilyev, Dmitry V.,Vinogradov, Mikhail M.. "Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power". . p. 4922 - 4930. Retrieved 2021/07/26.
• 2、 Hao, Ge-Fei,Li, Yi-Tao,Lin, Jian,Xu, Jun-Xing,Yao, Wen-Qiang,Zhou, Si. "Design, Synthesis, and Structure-Activity Relationship of Economical Triazole Sulfonamide Aryl Derivatives with High Fungicidal Activity". . p. 6792 - 6801. Retrieved 2020/07/08.