Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
• CAS No.: 26906-40-1
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60569860
• Mol file: 26906-40-1.mol

Synonyms:26906-40-1;Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate;Ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate;2-Oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid ethyl ester;MFCD00483647;2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid ethyl ester;Ethyl2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate;SCHEMBL10361090;DTXSID60569860;BBA90640;3-carbethoxy-3,4-dihydrocarbostyril;AKOS015996060;BS-25358;EN300-651381;A877100

Chemical Property of Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.25E-06mmHg at 25°C
• Boiling Point: 387.6°C at 760 mmHg
• Flash Point: 188.2°C
• PSA: 55.40000
• Density: 1.198g/cm³
• LogP: 1.49850
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC2=CC=CC=C2NC1=O

Technology Process of Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate

There total 7 articles about Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate 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: 67.0%

ethyl ester of 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid (99429-64-8) → ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate (26906-40-1,27871-05-2)

Guidance literature:

With acetic acid; zinc; for 5h; Heating;

DOI:10.1007/BF01169674

Reference yield:

diethyl 2-(2-nitrobenzylidene)malonate (17422-56-9) → ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate (26906-40-1,27871-05-2)

Guidance literature:

With 1,4-dioxane; nickel; at 95 - 105 ℃; Hydrogenation;

DOI:10.1021/ja01269a048

Reference yield:

→ ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate (26906-40-1,27871-05-2)

Guidance literature:

With hydrogenchloride; zinc;

upstream raw materials:

diethyl 2-(2-nitrobenzylidene)malonate

ethyl ester of 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

ethyl 2,4-dichloroquinoline-3-carboxylate

ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate

Downstream raw materials:

1,2,3,4-tetrahydroisoquinoline

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