Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate

Base Information

• Chemical Name: Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate
• CAS No.: 120572-43-2
• Molecular Formula: C15H19NO5
• Molecular Weight: 293.32
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20399968
• Wikidata: Q82202766
• Mol file: 120572-43-2.mol

Synonyms:120572-43-2;Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate;2-[(4-ETHOXY-1,4-DIOXOBUTYL)AMINO]BENZOIC ACID ETHYL ESTER;ethyl 2-[(4-ethoxy-4-oxobutanoyl)amino]benzoate;SCHEMBL4863213;DTXSID20399968;AKOS008999993;BS-26076;Ethyl2-(4-ethoxy-4-oxobutanamido)benzoate;FT-0668095;ethyl 2-((4ethoxy-4-oxobutanoyl)amino)benzoate;A892168;J-004362

Chemical Property of Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate

Chemical Property:

• PSA: 81.70000
• LogP: 2.21810
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 293.12632271
• Heavy Atom Count: 21
• Complexity: 369

Purity/Quality:

97% ^*data from raw suppliers

2-[(4-Ethoxy-1,4-dioxobutyl)amino]benzoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)OCC
• Uses: 2-[(4-Ethoxy-1,4-dioxobutyl)amino]benzoic Acid Ethyl Ester (cas# 120572-43-2) is a compound useful in organic synthesis.

Technology Process of Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate

There total 3 articles about Ethyl 2-(4-ethoxy-4-oxobutanamido)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: 85.0%

ethanol (64-17-5) + 4-[(2-ethoxycarbonylphenyl)amino]-4-oxobutanoic acid (120572-38-5) → diethyl ester of succinoylanthranilic acid (120572-43-2)

Guidance literature:

With sulfuric acid; for 8h; Ambient temperature;

Reference yield: 77.0%

ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) + 2-ethoxycarbonylaniline (87-25-2) → diethyl ester of succinoylanthranilic acid (120572-43-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

2-ethoxycarbonylaniline (87-25-2) → diethyl ester of succinoylanthranilic acid (120572-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / benzene; diethyl ether; dioxane / Ambient temperature

2: 85 percent / H₂SO₄ / 8 h / Ambient temperature

With sulfuric acid; In 1,4-dioxane; diethyl ether; benzene;

upstream raw materials:

ethanol

4-[(2-ethoxycarbonylphenyl)amino]-4-oxobutanoic acid

ethyl 3-(chloroformyl)propionate

2-ethoxycarbonylaniline

Downstream raw materials:

2,3,-Dihydro-5-hydroxy-2-oxo-1H-1-benzazepin-4-carbonsaeureethylester

7-bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine

5-oxo-N-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide

5-phenoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

Refernces

• 1、 -. "BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS". Paragraph 00319-00320. . Retrieved 2014/01/18.
• 2、 Kling, Andreas,Backfisch, Gisela,Delzer, Juergen,Geneste, Herve,Graef, Claudia,Hornberger, Wilfried,Lange, Udo E. W.,Lauterbach, Arnulf,Seitz, Werner,Subkowski, Thomas. "Design and synthesis of 1,5- and 2,5-substituted tetrahydrobenzazepinones as novel potent and selective integrin αVβ3 antagonists". . p. 1319 - 1341. Retrieved 2007/10/03.