2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid

Base Information

• Chemical Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid
• CAS No.: 692281-53-1
• Molecular Formula: C11H13N3O2
• Molecular Weight: 299.326
• European Community (EC) Number: 827-664-1
• ChEMBL ID: CHEMBL4515858
• Mol file: 692281-53-1.mol

Synonyms:692281-53-1;2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid;2-{[3-(4-methoxyphenyl)propanoyl]amino}benzoic acid;2-[3-(4-methoxyphenyl)propanamido]benzoic acid;2-(3-(4-Methoxyphenyl)propanamido)benzoic acid;2-([3-(4-Methoxyphenyl)propanoyl]amino)benzoic acid;CHEMBL4515858;STK090381;AKOS000199106;CCG-356633;CS-0230421;EN300-10382;2-(3-(4-Methoxyphenyl)propanamido)benzoicacid;2-(3-(4-methoxy-phenyl)-propanamido)-benzoic acid;J-505705;Z57012208

Chemical Property of 2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid

Chemical Property:

• PSA: 75.63000
• LogP: 3.03770
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 299.11575802
• Heavy Atom Count: 22
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

2-[3-(4-Methoxyphenyl)propanoylamino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)O

Technology Process of 2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid

There total 3 articles about 2-[3-(4-methoxyphenyl)propanoylamino]benzoic Acid 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: 63.0%

methyl N-<3-(4-methoxyphenyl)propanoyl>anthranilate (83988-43-6) → N-(4-methoxyhydrocinnamoyl)anthranilic acid (692281-53-1)

Guidance literature:

methyl N-<3-(4-methoxyphenyl)propanoyl>anthranilate; With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; at 20 ℃;

With hydrogenchloride; In water; pH=4;

DOI:10.1016/j.ejmech.2019.02.074

Reference yield:

3-(4-methoxyphenyl)propionyl chloride (15893-42-2) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → N-(4-methoxyhydrocinnamoyl)anthranilic acid (692281-53-1)

Guidance literature:

With pyridine; In dichloromethane; at 120 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1016/j.bmc.2014.05.056

Reference yield:

3-(4-methoxyphenyl)propionyl chloride (15893-42-2) + 2-carbomethoxyaniline (134-20-3) → N-(4-methoxyhydrocinnamoyl)anthranilic acid (692281-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / water / 1 h / 20 °C

2.1: lithium hydroxide monohydrate / tetrahydrofuran; methanol / 20 °C

2.2: pH 4

With pyridine; lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.ejmech.2019.02.074

upstream raw materials:

3-(4-methoxyphenyl)propionyl chloride

anthranilic acid

2-carbomethoxyaniline

methyl N-<3-(4-methoxyphenyl)propanoyl>anthranilate