Methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate

Base Information

• Chemical Name: Methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate
• CAS No.: 75586-78-6
• Molecular Formula: C₁₈H₁₉NO₆
• Molecular Weight: 345.352
• DSSTox Substance ID: DTXSID50350542
• Nikkaji Number: J454.401C
• Wikidata: Q82126545
• Mol file: 75586-78-6.mol

Synonyms:75586-78-6;Benzoic acid, 2-[(3,4,5-trimethoxybenzoyl)amino]-, methyl ester;methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate;HMS542H19;Maybridge1_000349;Oprea1_515203;CBDivE_011583;DTXSID50350542;STK029701;AKOS001362284;methyl 2-(3,4,5-trimethoxybenzamido)benzoate;AB00074519-01;SR-01000405706;SR-01000405706-1;Z27656096;methyl 2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}benzoate

Chemical Property of Methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 345.12123733
• Heavy Atom Count: 25
• Complexity: 443

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C(=O)OC

Technology Process of Methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate

There total 4 articles about Methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate 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: 9.0%

methanol (67-56-1) + 2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one (40728-74-3) → methyl 2-<(3,4,5-trimethoxyphenyl)amino>benzoate (75586-78-6)

Guidance literature:

Heating;

DOI:10.1002/jhet.5570280836

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) + 2-carbomethoxyaniline (134-20-3) → N-(3,4,5-trimethoxy-benzoyl)-anthranilic acid methyl ester (75586-78-6)

Guidance literature:

DOI:10.1039/jr9560004420

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → methyl 2-<(3,4,5-trimethoxyphenyl)amino>benzoate (75586-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 29 percent / phosphoryl chloride / 5 h / Heating

2: 9 percent / Heating

With trichlorophosphate;

DOI:10.1002/jhet.5570280836

upstream raw materials:

3,4,5-Trimethoxybenzoyl chloride

2-carbomethoxyaniline

methanol

2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one

Downstream raw materials:

6-chloro-2-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one