N-(4-nitrobenzyl)cyclohexanamine

Base Information

Chemical Name:N-(4-nitrobenzyl)cyclohexanamine
CAS No.:59507-51-6
Molecular Formula:C13H18N2O2
Molecular Weight:234.298
Hs Code.:
DSSTox Substance ID:DTXSID00355668
Nikkaji Number:J2.879.073B
Wikidata:Q82134690
Mol file:59507-51-6.mol

Synonyms:N-(4-nitrobenzyl)cyclohexanamine;59507-51-6;N-[(4-nitrophenyl)methyl]cyclohexanamine;Oprea1_647152;Oprea1_835935;AG-690/33385059;SCHEMBL3099025;DTXSID00355668;cyclohexyl-(4-nitro-benzyl)-amine;STK145637;AKOS000253295;N-Cyclohexyl-4-nitrobenzenemethaneamine;AB00088993-01;SR-01000213063;SR-01000213063-1

Suppliers and Price of N-(4-nitrobenzyl)cyclohexanamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
CYCLOHEXYL (4-NITROBENZYL)AMINE Aldrich
100mg
$ 33.40

Total 3 raw suppliers

Chemical Property of N-(4-nitrobenzyl)cyclohexanamine

Chemical Property:

Vapor Pressure:6.85E-06mmHg at 25°C
Boiling Point:377.2°C at 760 mmHg
PKA:9.16±0.20(Predicted)
Flash Point:181.9°C
PSA：57.85000
Density:1.13g/cm³
LogP:3.93120
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:234.136827821
Heavy Atom Count:17
Complexity:238

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXYL (4-NITROBENZYL)AMINE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N-(4-nitrobenzyl)cyclohexanamine

There total 6 articles about N-(4-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: 90.0%

: 7506-46-9
N-cyclohexyl-4-nitrobenzamide

: 59507-51-6
4-(N-cyclohexyl-amino-methyl)-nitrobenzene

Guidance literature:: N-cyclohexyl-4-nitrobenzamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; Inert atmosphere;

With triethylsilane; In dichloromethane; at 0 - 25 ℃; Inert atmosphere;

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In dichloromethane; at 25 ℃; for 12h; chemoselective reaction; Inert atmosphere;
DOI:10.1021/ja105194s

Reference yield: 86.0%

: N-[(trifluoro-λ4-boranyl)methyl]cyclohexanaminium

: 586-78-7
para-nitrophenyl bromide

: 59507-51-6
4-(N-cyclohexyl-amino-methyl)-nitrobenzene

Guidance literature:: With chloro[(tri-tert-butylphosphine)-2-(2-aminobiphenyl)]palladium (II); caesium carbonate; In tetrahydrofuran; water; at 60 ℃; for 24h; Inert atmosphere;
DOI:10.1002/chem.201200831

Reference yield: 67.0%

: 555-16-8
4-nitrobenzaldehdye

: 108-91-8,157973-60-9
cyclohexylamine

: 59507-51-6
4-(N-cyclohexyl-amino-methyl)-nitrobenzene

Guidance literature:: 4-nitrobenzaldehdye; cyclohexylamine; With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 ℃; for 12h;

With sodium hydroxide; In dichloromethane; water;