Ethyl (2-amino-3-benzoylphenyl)acetate

Base Information

• Chemical Name: Ethyl (2-amino-3-benzoylphenyl)acetate
• CAS No.: 61941-57-9
• Molecular Formula: C17H17NO3
• Molecular Weight: 283.327
• ChEMBL ID: CHEMBL73295
• DSSTox Substance ID: DTXSID90512566
• Nikkaji Number: J336.886F
• Wikidata: Q82371880

Synonyms:61941-57-9;Ethyl (2-amino-3-benzoylphenyl)acetate;Amfenac Ethyl Ester;ethyl 2-(2-amino-3-benzoylphenyl)acetate;AmfenacEthylEster;CHEMBL73295;2-Amino-3-benzoylbenzeneacetic acid ethyl ester;Ethyl 2-amino-3-benzoylbenzeneacetate;SCHEMBL2746976;DTXSID90512566;XQGLNUVQVKZRRR-UHFFFAOYSA-N;BDBM50228720;Ethyl 2-amino-3-benzoylphenylacetate;2-amino-3-benzoyl benzeneacetic acid, ethyl ester;(2-Amino-3-benzoylphenyl)acetic Acid, Ethyl Ester

Chemical Property of Ethyl (2-amino-3-benzoylphenyl)acetate

Chemical Property:

• PSA: 69.39000
• LogP: 3.18660
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

AmfenacEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)N
• Uses: Amfenac Ethyl Ester is a derivative of Amfenac (A576500), an antibacterial agent for the treatment of otitis externa.

Technology Process of Ethyl (2-amino-3-benzoylphenyl)acetate

There total 2 articles about Ethyl (2-amino-3-benzoylphenyl)acetate 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:

2-amino-3-benzoylbenzeneacetic acid,sodium salt (61941-56-8) + ethyl iodide (75-03-6) → 2-amino-3-benzoylbenzeneacetic acid,ethyl ester (61941-57-9)

Guidance literature:

In N-methyl-acetamide;

Reference yield:

→ 2-amino-3-benzoylbenzeneacetic acid,ethyl ester (61941-57-9)

Guidance literature:

Na-Salz 11, EtI;

DOI:10.1021/jm00195a012

Reference yield: 62.0%

2-amino-3-benzoylbenzeneacetic acid,ethyl ester (61941-57-9) → 2-amino-3-(hydroxyphenylmethyl)benzeneethanol (102414-23-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/jm00170a039

upstream raw materials:

2-amino-3-benzoylbenzeneacetic acid,sodium salt

ethyl iodide

Downstream raw materials:

7-benzoyl-1,3-dihydroindol-2-one

(3-Benzoyl-2-dimethylamino-phenyl)-acetic acid ethyl ester

2-amino-3-(hydroxyphenylmethyl)benzeneethanol

2-dimethylamino-3-benzoylbenzeneacetic acid

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