3-amino-N-(4-methoxyphenyl)benzamide

Base Information

• Chemical Name: 3-amino-N-(4-methoxyphenyl)benzamide
• CAS No.: 115175-19-4
• Molecular Formula: C14H14N2O2
• Molecular Weight: 242.277
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20356430
• Wikidata: Q82135758
• Mol file: 115175-19-4.mol

Synonyms:3-amino-N-(4-methoxyphenyl)benzamide;115175-19-4;Benzamide, 3-amino-N-(4-methoxyphenyl)-;SCHEMBL1352307;DTXSID20356430;MFCD00578698;AKOS000146375;BS-35635;AG-690/09302032;(1R,2S)-1-P-TOLYL-CYCLOPROPANE-1,2-DICARBOXYLICACID

Chemical Property of 3-amino-N-(4-methoxyphenyl)benzamide

Chemical Property:

• Vapor Pressure: 1.89E-05mmHg at 25°C
• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 173.2°C
• PSA: 64.35000
• Density: 1.245g/cm³
• LogP: 3.18390
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.105527694
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-N-(4-methoxyphenyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N

Technology Process of 3-amino-N-(4-methoxyphenyl)benzamide

There total 5 articles about 3-amino-N-(4-methoxyphenyl)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: 86.0%

N-(4'-methoxyphenyl)-3-nitrobenzamide (101971-72-6) → 3-amino-N-(4-methoxy-phenyl)-benzamide (115175-19-4)

Guidance literature:

With iron; ammonium chloride; In methanol; for 7h; Reflux;

DOI:10.3390/molecules21050676

Reference yield:

m-nitrobenzoic acid chloride (121-90-4) → 3-amino-N-(4-methoxy-phenyl)-benzamide (115175-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.08 h / Ambient temperature

2: Sn, 6 N HCl / tetrahydrofuran / 1 h / 50 °C

With hydrogenchloride; tin; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00153a018

Reference yield:

4-methoxy-aniline (104-94-9) → 3-amino-N-(4-methoxy-phenyl)-benzamide (115175-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.08 h / Ambient temperature

2: Sn, 6 N HCl / tetrahydrofuran / 1 h / 50 °C

With hydrogenchloride; tin; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00153a018

upstream raw materials:

N-(4'-methoxyphenyl)-3-nitrobenzamide

4-methoxy-aniline

m-nitrobenzoic acid chloride

3-nitrobenzoic acid

Downstream raw materials:

3-(2-chloro-acetylamino)-N-(4-methoxy-phenyl)-benzamide

C₁₇H₁₇BrN₂O₃

C₁₆H₁₉N₃O₄S

Refernces

• 1、 -. "Group of amino substituted benzoyl derivatives and their preparation and their use". Page/Page column 18. . Retrieved 2011/08/04.
• 2、 Al-Nadaf, Afaf,Sheikha, Ghassan Abu,Taha, Mutasem O.. "Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads". experimental part. p. 3088 - 3115. Retrieved 2010/07/08.