N-(3-aminophenyl)-4-methylbenzamide

Base Information

• Chemical Name: N-(3-aminophenyl)-4-methylbenzamide
• CAS No.: 613656-89-6
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.278
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20411770
• Wikidata: Q82218718
• Mol file: 613656-89-6.mol

Synonyms:N-(3-aminophenyl)-4-methylbenzamide;613656-89-6;DTXSID20411770;MFCD01360424;AKOS000128596;VS-01164;CS-0315763

Chemical Property of N-(3-aminophenyl)-4-methylbenzamide

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Boiling Point: 336.2°C at 760 mmHg
• Flash Point: 157.2°C
• PSA: 55.12000
• Density: 1.21g/cm³
• LogP: 3.48370
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

N-(3-Aminophenyl)-4-methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N

Technology Process of N-(3-aminophenyl)-4-methylbenzamide

There total 6 articles about N-(3-aminophenyl)-4-methylbenzamide 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: 83.0%

(3-amino-phenyl)-carbamic acid phenyl ester (68621-59-0) + tri(4-tolyl)boroxine (5084-80-0) → N-(3-amino-phenyl)-4-methyl-benzamide (613656-89-6)

Guidance literature:

With [Rh(OH)(cod)]2; triethylamine; In tetrahydrofuran; at 50 ℃; chemoselective reaction;

DOI:10.1021/acscatal.9b02641

Reference yield: 34.0%

4-methyl-N-(3-nitro-phenyl)-benzamide (33802-08-3) → N-(3-amino-phenyl)-4-methyl-benzamide (613656-89-6)

Guidance literature:

With sodium dithionite; water; sodium carbonate; at 20 ℃; for 168h;

DOI:10.1016/j.bmc.2010.03.043

Reference yield:

C19H22N2O3 → N-(3-amino-phenyl)-4-methyl-benzamide (613656-89-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2019.126711

upstream raw materials:

4-methyl-N-(3-nitro-phenyl)-benzamide

3-nitro-aniline

4-methyl-benzoyl chloride

(3-aminophenyl)carbamic acid tert-butyl ester

Downstream raw materials:

4-Methyl-N-(3-propionylamino-phenyl)-benzamide

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