N-cyclohexyl-4-nitroaniline

Base Information

• Chemical Name: N-cyclohexyl-4-nitroaniline
• CAS No.: 13663-59-7
• Molecular Formula: C12H16 N2 O2
• Molecular Weight: 220.271
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID60396698
• Nikkaji Number: J29.679A
• Wikidata: Q82197547
• Mol file: 13663-59-7.mol

Synonyms:N-cyclohexyl-4-nitroaniline;13663-59-7;SCHEMBL3477702;DTXSID60396698;AKOS000286042;CS-0246849;EN300-345007;AE-562/10526024;Z31198091;InChI=1/C12H16N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h6-10,13H,1-5H

Chemical Property of N-cyclohexyl-4-nitroaniline

Chemical Property:

• PSA: 57.85000
• LogP: 3.93560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

98%Min ^*data from raw suppliers

N-cyclohexyl-4-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-cyclohexyl-4-nitroaniline

There total 19 articles about N-cyclohexyl-4-nitroaniline 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: 99.0%

cyclohexylamine (108-91-8,157973-60-9) + para-nitrophenyl bromide (586-78-7) → N-(4-nitrophenyl)cyclohexylamine (13663-59-7)

Guidance literature:

With Cu(nicotinamide)₂Cl₂; at 100 ℃; for 1h; Microwave irradiation; Sealed tube;

DOI:10.1039/c4gc02047b

Reference yield: 95.0%

→ N-(4-nitrophenyl)cyclohexylamine (13663-59-7)

Guidance literature:

Reference yield: 92.0%

cyclohexylamine (108-91-8,157973-60-9) + 4-chlorobenzonitrile (100-00-5) → N-(4-nitrophenyl)cyclohexylamine (13663-59-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 8h;

DOI:10.1055/s-0029-1216890

upstream raw materials:

cyclohexylamine

4-chlorobenzonitrile

4-Fluoronitrobenzene

4-(Cyclohexylamino)-1,2,4-triazole

Downstream raw materials:

N,N'-dicyclohexyl-N,N'-bis-(4-nitro-phenyl)-adipamide

acetic acid-(N-cyclohexyl-4-nitro-anilide)

Refernces

• 1、 Purkait, Nibadita,Kervefors, Gabriella,Linde, Erika,Olofsson, Berit. "Regiospecific N-Arylation of Aliphatic Amines under Mild and Metal-Free Reaction Conditions". supporting information. p. 11427 - 11431. Retrieved 2018/08/28.
• 2、 Baig, R.B. Nasir,Vaddula, Buchi Reddy,Nadagouda, Mallikarjuna N.,Varma, Rajender S.. "The copper-nicotinamide complex: Sustainable applications in coupling and cycloaddition reactions". supporting information. p. 1243 - 1248. Retrieved 2015/03/04.