4-Chloro-N-cyclopentylbenzylamine

Base Information

• Chemical Name: 4-Chloro-N-cyclopentylbenzylamine
• CAS No.: 66063-15-8
• Molecular Formula: C₁₂H₁₆ClN
• Molecular Weight: 209.719
• European Community (EC) Number: 266-097-9
• UNII: LZ8U6G8WNZ
• DSSTox Substance ID: DTXSID30216258
• Nikkaji Number: J349.332F
• Wikidata: Q83092467
• ChEMBL ID: CHEMBL1619343
• Mol file: 66063-15-8.mol

Synonyms:66063-15-8;4-Chloro-N-cyclopentylbenzylamine;N-(4-chlorobenzyl)cyclopentanamine;N-[(4-chlorophenyl)methyl]cyclopentanamine;4-Chloro-N-cyclopentylbenzenemethanamine;EINECS 266-097-9;N-(4-chlorobenzyl)-N-cyclopentylamine;EC 266-097-9;Pencycuron-PB-amine;LZ8U6G8WNZ;AN-465/41989744;C12-H16-Cl-N;CHEMBL1619343;SCHEMBL11112228;DTXSID30216258;N-4-chlorobenzyl-N-cyclopentylamine;MFCD03863988;STK510793;AKOS000226627;NCGC00247274-01;BS-17867;Benzenemethanamine, 4-chloro-N-cyclopentyl-;CS-0155348;D81354;EN300-108720;THS 3995/1787 (M16) (Pencycuron-PB-amine);F1967-9843

Chemical Property of 4-Chloro-N-cyclopentylbenzylamine

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Boiling Point: 301.8°Cat760mmHg
• Flash Point: 136.3°C
• PSA: 12.03000
• Density: 1.1g/cm³
• LogP: 3.76310
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 209.0971272
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

4-CHLORO-N-CYCLOPENTYL-BENZENEMETHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NCC2=CC=C(C=C2)Cl
• Uses: N-[(4-chlorophenyl)methyl]cyclopentanamine is a useful reagent for the preparation of γ-?lactams.

Technology Process of 4-Chloro-N-cyclopentylbenzylamine

There total 4 articles about 4-Chloro-N-cyclopentylbenzylamine 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: 93.0%

4-chlorobenzaldehyde (104-88-1) + Cyclopentamine (1003-03-8) → N-(4-chlorobenzyl)cyclopentanamine (66063-15-8)

Guidance literature:

4-chlorobenzaldehyde; Cyclopentamine; With methanol; magnesium sulfate; at 20 ℃; for 12h;

With sodium tetrahydroborate; at 0 - 20 ℃; for 1h;

DOI:10.1002/anie.201610957

Reference yield:

C12H14ClN → N-(4-chlorobenzyl)cyclopentanamine (66063-15-8)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.1c02550

Reference yield:

4-chlorobenzaldehyde (104-88-1) → N-(4-chlorobenzyl)cyclopentanamine (66063-15-8)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 1 h / 20 °C

2: sodium tetrahydroborate / 0.5 h / 20 °C

With sodium tetrahydroborate; In methanol;

DOI:10.1021/acs.joc.1c02550

upstream raw materials:

4-chlorobenzaldehyde

Cyclopentamine

Refernces

• 1、 Fountoulaki, Stella,Lykakis, Ioannis N.,Tzani, Marina A.. "Polyoxometalate-Driven Ease Conversion of Valuable Furfural to trans- N, N-4,5-Diaminocyclopenten-2-ones". supporting information. . Retrieved 2022/02/10.
• 2、 -. "BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER". Page/Page column 47. . Retrieved 2018/08/03.