N-(3-nitrobenzyl)cyclohexanamine

Base Information

• Chemical Name: N-(3-nitrobenzyl)cyclohexanamine
• CAS No.: 59507-50-5
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.29
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20355125
• Nikkaji Number: J933.056I
• Wikidata: Q82133790
• Mol file: 59507-50-5.mol

Synonyms:N-(3-nitrobenzyl)cyclohexanamine;59507-50-5;N-[(3-nitrophenyl)methyl]cyclohexanamine;CBMicro_024085;MixCom6_001109;Oprea1_178623;Oprea1_730791;DTXSID20355125;CCG-11347;STK145813;AKOS000253296;BIM-0024053.P001;N-CYCLOHEXYL-N-(3-NITROBENZYL)AMINE;AG-690/11822707

Chemical Property of N-(3-nitrobenzyl)cyclohexanamine

Chemical Property:

• Vapor Pressure: 8.1E-06mmHg at 25°C
• Boiling Point: 374.9°C at 760 mmHg
• Flash Point: 180.5°C
• PSA: 57.85000
• Density: 1.13g/cm³
• LogP: 3.93120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

N-(3-NITROBENZYL)CYCLOHEXANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NCC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of N-(3-nitrobenzyl)cyclohexanamine

There total 2 articles about N-(3-nitrobenzyl)cyclohexanamine 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: 89.0%

3-nitro-benzaldehyde (99-61-6) + cyclohexylamine (108-91-8,157973-60-9) → N-(3-nitrobenzyl)cyclohexylamine (59507-50-5)

Guidance literature:

With zinc borohydride; silica gel; In 1,2-dimethoxyethane; for 4h;

DOI:10.1021/jo971117h

Reference yield:

→ N-(3-nitrobenzyl)cyclohexylamine (59507-50-5)

Guidance literature:

upstream raw materials:

3-nitro-benzaldehyde

cyclohexylamine

Refernces

• 1、 Ranu, Brindaban C.,Majee, Adinath,Sarkar, Arunkanti. "One-Pot Reductive Amination of Conjugated Aldehydes and Ketones with Silica Gel and Zinc Borohydride". . p. 370 - 373. Retrieved 2007/10/03.