N-(4-Nitro-benzyl)-formamide

Base Information

• Chemical Name: N-(4-Nitro-benzyl)-formamide
• CAS No.: 132387-93-0
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90453389
• Mol file: 132387-93-0.mol

Synonyms:N-(4-NITRO-BENZYL)-FORMAMIDE;132387-93-0;N-[(4-nitrophenyl)methyl]formamide;N-(4-Nitrobenzyl)formamide;SCHEMBL514245;DTXSID90453389;AKOS006331312;AKOS015967065

Chemical Property of N-(4-Nitro-benzyl)-formamide

Chemical Property:

• Boiling Point: 445.5±28.0 °C(Predicted)
• PKA: 15.03±0.23(Predicted)
• PSA: 74.92000
• Density: 1.284±0.06 g/cm3(Predicted)
• LogP: 2.39080
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-NITRO-BENZYL)-FORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC=O)[N+](=O)[O-]

Technology Process of N-(4-Nitro-benzyl)-formamide

There total 5 articles about N-(4-Nitro-benzyl)-formamide 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: 91.0%

4-nitrobenzaldehdye (555-16-8) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-(4-nitrobenzyl)formamide (132387-93-0)

Guidance literature:

With formic acid; at 180 ℃; for 0.05h; Microwave irradiation;

DOI:10.1021/acscombsci.5b00066

Reference yield: 87.0%

ammonium formate (16712-16-6,64165-14-6,65387-22-6,70179-79-2,540-69-2) + 4-nitrobenzaldehdye (555-16-8) → p-nitrobenzylamine (7409-30-5) + N-(4-nitrobenzyl)formamide (132387-93-0)

Guidance literature:

With [pentamethylcyclopentadienyl*Ir(N-phenyl-2-pyridinecarboxamidate)Cl]; In methanol; at 37 ℃; for 15h; chemoselective reaction;

DOI:10.1016/j.tetlet.2020.152196

Reference yield: 72.0%

p-nitrobenzylamine (7409-30-5) + formic acid ethyl ester (109-94-4) → N-(4-nitrobenzyl)formamide (132387-93-0)

Guidance literature:

With graphene oxide; In neat (no solvent); at 100 ℃; for 24h; Sealed tube;

DOI:10.1039/c9nj05283f

upstream raw materials:

formic acid

p-nitrobenzylamine

4-nitrobenzaldehdye

formamide

Downstream raw materials:

1-((E)-1,2-Bis-methoxycarbonyl-vinyl)-2-(4-chloro-2-nitro-phenylsulfanyl)-5-(4-nitro-phenyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester

1-((E)-1,2-Bis-methoxycarbonyl-vinyl)-2-(4-nitro-phenyl)-5-(2-nitro-phenylsulfanyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester

1-((E)-1,2-Bis-methoxycarbonyl-vinyl)-2-(4-chloro-phenylsulfanyl)-5-(4-nitro-phenyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester

2-(4-Chloro-2-nitro-phenylsulfanyl)-5-(4-nitro-phenyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester