Ethyl 4,5,7-trichloroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 4,5,7-trichloroquinoline-3-carboxylate
• CAS No.: 150258-21-2
• Molecular Formula: C12H8Cl3NO2
• Molecular Weight: 304.56
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50408330
• Nikkaji Number: J2.805.924H
• Wikidata: Q82213784
• Mol file: 150258-21-2.mol

Synonyms:Ethyl 4,5,7-trichloroquinoline-3-carboxylate;150258-21-2;4,5,7-Trichloroquinoline-3-carboxylic acid ethyl ester;ethyl 4,5,7-trichloro-3-quinolinecarboxylate;Oprea1_477658;DTXSID50408330;MFCD00173410;AKOS005097164;SB72725;Ethyl4,5,7-trichloroquinoline-3-carboxylate;6J-054;A884182

Chemical Property of Ethyl 4,5,7-trichloroquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.88E-06mmHg at 25°C
• Melting Point: 69-71 °C
• Boiling Point: 389.3°C at 760 mmHg
• PKA: -0.85±0.50(Predicted)
• Flash Point: 189.2°C
• PSA: 39.19000
• Density: 1.471g/cm³
• LogP: 4.37170
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 302.962062
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4,5,7-trichloroquinoline-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=CN=C2C=C(C=C(C2=C1Cl)Cl)Cl

Technology Process of Ethyl 4,5,7-trichloroquinoline-3-carboxylate

There total 6 articles about Ethyl 4,5,7-trichloroquinoline-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: 98.0%

5,7-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester (185011-92-1,93514-82-0) → ethyl 4,5,7-trichloroquinoline-3-carboxylate (150258-21-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 1.5h; Reflux;

DOI:10.1016/j.tetlet.2009.10.123

Reference yield:

diethyl 2-((3,5-dichlorophenylamino)methylene)malonate (93514-78-4) → ethyl 4,5,7-trichloroquinoline-3-carboxylate (150258-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diphenylether / 220 - 230 °C

2: thionyl chloride / Reflux

With thionyl chloride; In diphenylether;

DOI:10.1016/j.bmc.2018.06.021

Reference yield:

3,5-Dichloroaniline (626-43-7) → ethyl 4,5,7-trichloroquinoline-3-carboxylate (150258-21-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / 80 °C

2: diphenylether / 220 - 230 °C

3: thionyl chloride / Reflux

With thionyl chloride; In diphenylether;

DOI:10.1016/j.bmc.2018.06.021

upstream raw materials:

ethyl 4-hydroxy-5,7-dichloroquinoline-3-carboxylate

5,7-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

diethyl 2-((3,5-dichlorophenylamino)methylene)malonate

3,5-Dichloroaniline