Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
• CAS No.: 99429-64-8
• Molecular Formula: C12H10 Cl N O3
• Molecular Weight: 251.669
• European Community (EC) Number: 866-530-7
• DSSTox Substance ID: DTXSID50350360
• Wikidata: Q82126253
• Mol file: 99429-64-8.mol

Synonyms:ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate;99429-64-8;ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate;MFCD00572655;STK857580;Oprea1_277231;Oprea1_760597;SCHEMBL1061379;DTXSID50350360;BBL028768;STL299800;AKOS000622478;AKOS005632029;SB69085;VS-08958;CS-0139501;C77636;EN300-186679;ethyl 4-chloro-2-hydroxyquinoline-3-carboxylate;SR-01000314944;SR-01000314944-1;ethyl4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate

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

Chemical Property:

• Vapor Pressure: 1.19E-07mmHg at 25°C
• Boiling Point: 431.5°Cat760mmHg
• Flash Point: 214.8°C
• PSA: 59.42000
• Density: 1.38g/cm³
• LogP: 2.77050
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)Cl

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

There total 11 articles about Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-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: 97.0%

4-morpholino-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ethyl ester → ethyl ester of 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid (99429-64-8)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1007/s10593-006-0174-3

Reference yield: 96.0%

ethyl 2,4-dichloroquinoline-3-carboxylate (6315-94-2) → ethyl ester of 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid (99429-64-8)

Guidance literature:

With sodium acetate; acetic acid; for 10h; Heating;

DOI:10.1007/BF01169674

Reference yield: 68.0%

ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate (40059-53-8) → ethyl ester of 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid (99429-64-8)

Guidance literature:

With trichlorophosphate; for 1h; Reflux;

DOI:10.1007/s00706-016-1660-7

upstream raw materials:

ethyl 2,4-dichloroquinoline-3-carboxylate

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

2-carbomethoxyaniline

diethyl malonate

Downstream raw materials:

C₁₉H₁₈N₂O₃

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

4-(3-cyanophenyl)-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ethyl ester

N-[1-(2-Hydroxyethyl)piperidin-4-yl]-3-methoxy-5-(4-methoxybenzyl)-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]quinoline-2-carboxamide