Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester
• CAS No.: 250644-93-0
• Molecular Formula: C16H15NO4
• Molecular Weight: 285.299
• DSSTox Substance ID: DTXSID40451870
• Nikkaji Number: J1.171.978C
• Wikidata: Q82272144
• Mol file: 250644-93-0.mol

Synonyms:250644-93-0;Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester;DTXSID40451870;2-Anilino-4-hydroxy-5-acetylbenzoic acid methyl ester

Chemical Property of Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 285.10010796
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester

There total 2 articles about Benzoic acid, 5-acetyl-4-hydroxy-2-(phenylamino)-, methyl ester 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: 62.0%

methyl 3-acetyl-4-hydroxy-6-amino benzoate (71407-97-1) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → methyl 5-acetyl-4-hydroxy-2-phenylaminobenzoate (250644-93-0) + 5-acetyl-4-phenoxy-2-phenylamino-benzoic acid methyl ester

Guidance literature:

anthranilic acid; With hydrogen cation; sodium nitrite;

methyl 3-acetyl-4-hydroxy-6-amino benzoate; at 80 ℃;

DOI:10.1016/S0040-4039(99)01424-0

Reference yield:

methyl 3-acetyl-4-hydroxy-6-amino benzoate (71407-97-1) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → methyl 5-acetyl-4-hydroxy-2-phenylaminobenzoate (250644-93-0)

Guidance literature:

In 1,2-dichloro-ethane; Heating;

DOI:10.3987/com-02-9682

Reference yield: 100.0%

methyl 5-acetyl-4-hydroxy-2-phenylaminobenzoate (250644-93-0) → 5-acetyl-4-hydroxy-2-phenylaminobenzoic acid (250644-94-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 80 ℃;

DOI:10.1016/S0040-4039(99)01424-0

upstream raw materials:

methyl 3-acetyl-4-hydroxy-6-amino benzoate

anthranilic acid

Downstream raw materials:

5-acetyl-4-hydroxy-2-phenylaminobenzoic acid

3-hydroxy-2-[3-(4-methoxy-phenyl)-acryloyl]-10H-acridin-9-one

3-hydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyl]-10H-acridin-9-one

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