N-cyclohexyl-4-nitrobenzamide

Base Information

• Chemical Name: N-cyclohexyl-4-nitrobenzamide
• CAS No.: 7506-46-9
• Molecular Formula: C13H16N2O3
• Molecular Weight: 248.282
• NSC Number: 405519,6909
• DSSTox Substance ID: DTXSID50996560
• Nikkaji Number: J1.203.768F
• Wikidata: Q82988372
• ChEMBL ID: CHEMBL1883380
• Mol file: 7506-46-9.mol

Synonyms:N-cyclohexyl-4-nitrobenzamide;7506-46-9;MLS002637952;N-cyclohexyl-4-nitro-benzamide;NSC6909;CBMicro_048187;Oprea1_875737;SCHEMBL9835734;CHEMBL1883380;DTXSID50996560;Benzamide, N-cyclohexyl-p-nitro-;HMS3080K13;NSC-6909;MFCD00439005;NSC405519;STK415642;AKOS000369110;NSC-405519;LS-07570;SMR001547459;BIM-0048167.P001;CS-0317209;EU-0003075;SR-01000414968;SR-01000414968-1

Chemical Property of N-cyclohexyl-4-nitrobenzamide

Chemical Property:

• Vapor Pressure: 2.6E-08mmHg at 25°C
• Boiling Point: 450.6°C at 760 mmHg
• Flash Point: 226.3°C
• PSA: 74.92000
• Density: 1.22g/cm³
• LogP: 3.57140
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

N-Cyclohexyl-4-nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-cyclohexyl-4-nitrobenzamide

There total 32 articles about N-cyclohexyl-4-nitrobenzamide 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) + 4-nitro-benzoic acid (62-23-7) → N-cyclohexyl-4-nitrobenzamide (7506-46-9)

Guidance literature:

With (3-{[(cyclohexylimino)methylidene]amino}propyl)oxy linked polystyrene resin; In dichloromethane; N,N-dimethyl-formamide; for 0.0833333h; Flow reactor;

DOI:10.1021/acscombsci.0c00001

Reference yield: 94.0%

4-nitrobenzaldehdye (555-16-8) + cyclohexanol (108-93-0) → N-cyclohexyl-4-nitrobenzamide (7506-46-9)

Guidance literature:

4-nitrobenzaldehdye; With sodium azide; trifluorormethanesulfonic acid; acetic acid; at 40 ℃; for 2h;

cyclohexanol; With trifluorormethanesulfonic acid; at 90 ℃;

DOI:10.1016/j.tetlet.2016.08.069

Reference yield: 93.0%

cyclohexylamine (108-91-8,157973-60-9) + 4-nitro-benzoyl chloride (122-04-3) → N-cyclohexyl-4-nitrobenzamide (7506-46-9)

Guidance literature:

With indium; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2004.01.114

upstream raw materials:

cyclohexylamine

4-nitro-benzoyl chloride

3-bromo-3-(4-nitrophenyl)diazirine

Cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester

Downstream raw materials:

4-amino-N-cyclohexylbenzamide

(E)-N-cyclohexyl-1-(4-nitrophenyl)methanimine

4-nitrobenzaldehdye

1-(4-nitrophenyl)propan-1-one

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