n-(4-Nitrobenzyl)benzamide

Base Information

• Chemical Name: n-(4-Nitrobenzyl)benzamide
• CAS No.: 34907-24-9
• Molecular Formula: C14H12 N2 O3
• Molecular Weight: 256.261
• NSC Number: 135198
• DSSTox Substance ID: DTXSID80300176
• Nikkaji Number: J492.682J
• Wikidata: Q82043033
• Mol file: 34907-24-9.mol

Synonyms:n-(4-nitrobenzyl)benzamide;34907-24-9;N-[(4-nitrophenyl)methyl]benzamide;NSC135198;N-(p-nitrobenzyl)-benzamide;SCHEMBL6961817;DTXSID80300176;TVGZIMVSSPILRJ-UHFFFAOYSA-N;MFCD02691221;AKOS001033998;NSC-135198;LS-08600;BB 0258886;CS-0287147;AB00709257-01;AE-848/01518008;Z56760354

Chemical Property of n-(4-Nitrobenzyl)benzamide

Chemical Property:

• Vapor Pressure: 4.9E-11mmHg at 25°C
• Boiling Point: 523°C at 760 mmHg
• Flash Point: 270.1°C
• Density: 1.266g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.08479225
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of n-(4-Nitrobenzyl)benzamide

There total 15 articles about n-(4-Nitrobenzyl)benzamide 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: 88.0%

benzonitrile (100-47-0) + 1-bromomethyl-4-nitro-benzene (100-11-8) → N-(p-Nitrobenzyl) benzamide (34907-24-9)

Guidance literature:

With iron(II) chloride tetrahydrate; In neat (no solvent); at 80 ℃; for 4h;

DOI:10.1007/s11696-018-0585-5

Reference yield: 87.0%

4-nitrobenzyl acetate (619-90-9) + benzonitrile (100-47-0) → N-(p-Nitrobenzyl) benzamide (34907-24-9)

Guidance literature:

With iron (III) perchlorate monohydrate; In neat (no solvent); at 80 ℃; for 6h;

DOI:10.1055/s-0037-1610658

Reference yield: 82.0%

4-nitrobenzyl chloride (619-73-8) + benzyl alcohol (100-51-6,185532-71-2) → N-(p-Nitrobenzyl) benzamide (34907-24-9)

Guidance literature:

With [Ru(Cl)(CO)(κ2-S,NN-N-(4-methylphenyl)pyridine-2-thiocarboxamide)(AsPh3)2]; In tert-butyl alcohol; at 62 ℃; for 8h;

DOI:10.1021/om500556b

upstream raw materials:

N-(4-nitro-benzyl)-benzaldoxime

acetic anhydride

p-nitrobenzylamine

benzoyl chloride

Downstream raw materials:

N-(4'-Aminobenzyl)benzamide

benzyl(4-nitrobenzyl)amine

N-Benzyliden-p-benzamidomethyl-anilin

N-benzamid