N-(2,3-dimethylphenyl)-3-nitrobenzamide

Base Information

• Chemical Name: N-(2,3-dimethylphenyl)-3-nitrobenzamide
• CAS No.: 102631-03-8
• Molecular Formula: C15H14N2O3
• Molecular Weight: 270.288
• European Community (EC) Number: 662-739-0
• Mol file: 102631-03-8.mol

Synonyms:N-(2,3-dimethylphenyl)-3-nitrobenzamide;102631-03-8;3-nitro-N-(2,3-dimethylphenyl)benzamide;Oprea1_322494;Oprea1_547752;SCHEMBL8870819;RVAMVTLZSAFRCP-UHFFFAOYSA-N;MFCD00157808;STK202519;AKOS000374033;LS-07392;CS-0318891;FT-0727926;Z27799496

Chemical Property of N-(2,3-dimethylphenyl)-3-nitrobenzamide

Chemical Property:

• Melting Point: 171-172 °C(Solv: benzene (71-43-2))
• Boiling Point: 352.5±42.0 °C(Predicted)
• PKA: 12.53±0.70(Predicted)
• PSA: 74.92000
• Density: 1.270±0.06 g/cm3(Predicted)
• LogP: 4.06010
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.10044231
• Heavy Atom Count: 20
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

N-(2,3-Dimethylphenyl)-3-nitrobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Technology Process of N-(2,3-dimethylphenyl)-3-nitrobenzamide

There total 2 articles about N-(2,3-dimethylphenyl)-3-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: 86.0%

2,3-Dimethylaniline (87-59-2) + m-nitrobenzoic acid chloride (121-90-4) → 3-nitro-N-(2,3-dimethylphenyl)benzamide (102631-03-8)

Guidance literature:

With 4-methyl-morpholine; In dichloromethane; at 0 ℃; for 12h;

DOI:10.1002/(sici)1521-3773(19990712)38:13/14<2032::aid-anie2032>3.0.co;2-d

Reference yield:

2,3-Dimethylaniline (87-59-2) + 3-nitrobenzoic acid (121-92-6) → 3-nitro-N-(2,3-dimethylphenyl)benzamide (102631-03-8)

Guidance literature:

With benzotriazol-1-ol; 1,2-dichloro-ethane; triethylamine; In N,N-dimethyl-formamide;

Reference yield: 81.0%

3-nitro-N-(2,3-dimethylphenyl)benzamide (102631-03-8) → 3-amino-N-(2,3-dimethylphenyl)benzamide (102630-86-4)

Guidance literature:

With tin(ll) chloride; In ethyl acetate; for 2h; Heating;

DOI:10.1002/(sici)1521-3773(19990712)38:13/14<2032::aid-anie2032>3.0.co;2-d

upstream raw materials:

2,3-Dimethylaniline

m-nitrobenzoic acid chloride

3-nitrobenzoic acid

Downstream raw materials:

3-amino-N-(2,3-dimethylphenyl)benzamide