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

Base Information

• Chemical Name: 3-amino-N-(2,3-dimethylphenyl)benzamide
• CAS No.: 102630-86-4
• Molecular Formula: C15H16N2O
• Molecular Weight: 240.305
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00424186
• Nikkaji Number: J1.365.585E
• ChEMBL ID: CHEMBL37026
• Mol file: 102630-86-4.mol

Synonyms:3-amino-N-(2,3-dimethylphenyl)benzamide;102630-86-4;Cambridge id 7073988;CHEMBL37026;SCHEMBL7996943;DTXSID00424186;SSGORUYGVLRARA-UHFFFAOYSA-N;BBL002642;MFCD03070710;STK519624;AKOS000139876;N-(2,3-Dimethylphenyl)-3-aminobenzamide;VS-01140;CS-0313760;FT-0744973;SR-01000250739;SR-01000250739-1;3-AMINO-N-(2,3-DIMETHYLPHENYL)BENZAMIDE 95%

Chemical Property of 3-amino-N-(2,3-dimethylphenyl)benzamide

Chemical Property:

• Vapor Pressure: 4.2E-05mmHg at 25°C
• Boiling Point: 351.1oC at 760 mmHg
• Flash Point: 166.2oC
• PSA: 55.12000
• Density: 1.182g/cm3
• LogP: 3.79210
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-N-(2,3-dimethylphenyl)benzamide ^*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)C

Technology Process of 3-amino-N-(2,3-dimethylphenyl)benzamide

There total 5 articles about 3-amino-N-(2,3-dimethylphenyl)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: 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

Reference yield:

2,3-Dimethylaniline (87-59-2) → 3-amino-N-(2,3-dimethylphenyl)benzamide (102630-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NMM / CH₂Cl₂ / 0 - 20 °C

2: SnCl₂*2H₂O / ethyl acetate / 2 h / Heating

With 4-methyl-morpholine; tin(ll) chloride; In dichloromethane; ethyl acetate; 1: Acylation / 2: Reduction;

DOI:10.1016/S0968-0896(00)00138-3

Reference yield:

m-nitrobenzoic acid chloride (121-90-4) → 3-amino-N-(2,3-dimethylphenyl)benzamide (102630-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / aq. K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 64 percent / H₂ / 5percent Pd/C / 3 h / 2327.2 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00158a038

upstream raw materials:

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

2,3-Dimethylaniline

m-nitrobenzoic acid chloride

Downstream raw materials:

3-[2(R)-(t-butyloxycarbonylamino)-3-(triphenylmethyl-mercapto)propylamino ]-N-(2, 3-dimethylphenyl)benzamide

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