2-Methyl-6-nitrobenzamide

Base Information

• Chemical Name: 2-Methyl-6-nitrobenzamide
• CAS No.: 40637-78-3
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• European Community (EC) Number: 630-963-8
• DSSTox Substance ID: DTXSID80879377
• Nikkaji Number: J1.619.651G
• Wikidata: Q82861479
• Mol file: 40637-78-3.mol

Synonyms:2-methyl-6-nitrobenzamide;40637-78-3;nitrotoluamid;SCHEMBL1806108;DTXSID80879377;2-NITRO-6-METHYLBENZAMIDE;AKOS009358450;CS-0252682;EN300-61229;Z394696612

Chemical Property of 2-Methyl-6-nitrobenzamide

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N

Technology Process of 2-Methyl-6-nitrobenzamide

There total 5 articles about 2-Methyl-6-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:

2-methyl-6-nitrobenzoyl chloride (66232-57-3) → 2-methyl-6-nitro-benzoic acid amide (40637-78-3)

Guidance literature:

With ammonia; In methanol; dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.5h;

Reference yield:

2-cyano-3-nitrotoluene (1885-76-3) → 2-methyl-6-nitro-benzoic acid amide (40637-78-3)

Guidance literature:

With sulfuric acid;

Reference yield:

2-Methyl-6-nitroaniline (570-24-1) → 2-methyl-6-nitro-benzoic acid amide (40637-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. HCl, (ii) /BRN= 4652394/, CuSO₄, (iii) NO₂/HNO₃

2: aq. H₂SO₄

With sulfuric acid;

DOI:10.1002/hlca.19600430115

upstream raw materials:

2-cyano-3-nitrotoluene

sulfuric acid

2-Methyl-6-nitroaniline

2-methyl-6-nitrobenzoyl chloride

Downstream raw materials:

2-methyl-6-nitrobenzoic acid

2-amino-6-methylbenzoic acid

1-amino-3-methylbenzene

5-methyl-quinazolin-4(3H)-one