N-methyl-2-nitro-N-phenylbenzamide

Base Information

• Chemical Name: N-methyl-2-nitro-N-phenylbenzamide
• CAS No.: 61899-13-6
• Molecular Formula: C14H12N2O3
• Molecular Weight: 256.261
• DSSTox Substance ID: DTXSID60351843
• Wikidata: Q82128613
• Mol file: 61899-13-6.mol

Synonyms:N-methyl-2-nitro-N-phenylbenzamide;61899-13-6;Cambridge id 5356301;Oprea1_372556;SCHEMBL9135346;DTXSID60351843;MFCD00430506;STK090315;AKOS000503444;LS-07374;CS-0315758;SR-01000206776;SR-01000206776-1

Chemical Property of N-methyl-2-nitro-N-phenylbenzamide

Chemical Property:

• PSA: 66.13000
• LogP: 3.39460
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.08479225
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-2-nitro-N-phenylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-methyl-2-nitro-N-phenylbenzamide

There total 5 articles about N-methyl-2-nitro-N-phenylbenzamide 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: 78.0%

N-methylaniline (100-61-8) + 2-nitro-benzaldehyde (552-89-6) → N-methyl-N-phenyl-2-nitrobenzamide (61899-13-6)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; [Co(12-TMC)(ACN)](ClO₄)₂; vitamin B₁; C₁₉H₁₅N₂⁽¹⁺⁾*ClO₄^(1-); Fe(EDTA)*H₂O₂; potassium carbonate; potassium hydrogencarbonate; In water; at 20 ℃; for 12h; chemoselective reaction;

DOI:10.1002/cctc.202000156

Reference yield:

N-methyl-N-phenyl-2-nitrosobenzamide (144366-39-2) + Glyoxilic acid (298-12-4) → N-formylanthranilic acid (3342-77-6) + N-methyl-N-phenyl-2-nitrobenzamide (61899-13-6)

Guidance literature:

With disodium hydrogenphosphate; sodium dihydrogenphosphate; In methanol; water; at 60 ℃; for 17h;

Reference yield:

N-methylaniline (100-61-8) + 2-nitrobenzyl chloride (610-14-0) → N-methyl-N-phenyl-2-nitrobenzamide (61899-13-6)

Guidance literature:

With diethyl ether;

DOI:10.1039/jr9520001508

upstream raw materials:

N-methylaniline

2-nitrobenzyl chloride

N-methyl-N-phenyl-2-nitrosobenzamide

Glyoxilic acid

Downstream raw materials:

2-amino-N-methyl-N-phenylbenzamide

N-formylanthranilic acid

anthranilic acid

[diethoxy-(2-nitro-phenyl)-methyl]-methyl-phenyl-amine

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