Ethyl 6-chloro-2-methylquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 6-chloro-2-methylquinoline-3-carboxylate
• CAS No.: 114858-39-8
• Molecular Formula: C13H12ClNO2
• Molecular Weight: 249.69300
• Hs Code.: 2933499090
• European Community (EC) Number: 802-659-7
• DSSTox Substance ID: DTXSID60461315
• Nikkaji Number: J3.224.115H
• Wikidata: Q82285599
• Mol file: 114858-39-8.mol

Synonyms:114858-39-8;ETHYL 6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLATE;6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester;ETHYL6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLATE;3-Quinolinecarboxylic acid, 6-chloro-2-methyl-, ethyl ester;Ethyl 6-Chloro-2-methylquinoline-3carboxylate;SCHEMBL6824035;DTXSID60461315;KZZFZNSEHULNFN-UHFFFAOYSA-N;MFCD09787817;AB52306;CS-0441455;FT-0764136;Ethyl 6-chloro-2-methyl-3-quinolinecarboxylate;6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester, AldrichCPR

Chemical Property of Ethyl 6-chloro-2-methylquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 8.64E-05mmHg at 25°C
• Boiling Point: 340.4oC at 760 mmHg
• Flash Point: 159.7oC
• PSA: 39.19000
• Density: 1.252g/cm3
• LogP: 3.37330
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.0556563
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Cl)C

Technology Process of Ethyl 6-chloro-2-methylquinoline-3-carboxylate

There total 15 articles about Ethyl 6-chloro-2-methylquinoline-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: 99.0%

2-amino-5-chlorobenzaldehyde (20028-53-9) + ethyl acetoacetate (141-97-9) → ethyl 6-chloro-2-methylquinoline-3-carboxylate (114858-39-8)

Guidance literature:

With charcoal MgO; In neat (no solvent); at 49.84 ℃; for 0.25h; Temperature; regioselective reaction; Green chemistry;

DOI:10.1002/cctc.201402602

Reference yield: 89.0%

C8H5ClN4O2 + ethyl acetoacetate (141-97-9) → ethyl 6-chloro-2-methylquinoline-3-carboxylate (114858-39-8)

Guidance literature:

C₈H₅ClN₄O₂; ethyl acetoacetate; With triethylamine; L-proline; In dichloromethane; at 20 ℃; Inert atmosphere;

With triphenylphosphine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2013.07.050

Reference yield: 72.0%

ethyl 3-((4-chlorophenyl)amino)but-2-enoate (41014-75-9) → ethyl 6-chloro-2-methylquinoline-3-carboxylate (114858-39-8)

Guidance literature:

With trichlorophosphate; In DMF (N,N-dimethyl-formamide); 1,2-dichloro-ethane; at 20 ℃; for 7.16667h; Heating / reflux;

upstream raw materials:

ethyl acetoacetate

4-chloro-aniline

N,N-dimethyl-formamide

ethyl 3-((4-chlorophenyl)amino)but-2-enoate

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