Ethyl 6-fluoro-2-methylquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 6-fluoro-2-methylquinoline-3-carboxylate
• CAS No.: 282540-26-5
• Molecular Formula: C₁₃H₁₂FNO₂
• Molecular Weight: 233.242
• Hs Code.: 2933499090
• European Community (EC) Number: 803-452-4
• DSSTox Substance ID: DTXSID90349814
• Wikidata: Q82125302
• ChEMBL ID: CHEMBL1368432
• Mol file: 282540-26-5.mol

Synonyms:ethyl 6-fluoro-2-methylquinoline-3-carboxylate;282540-26-5;6-FLUORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER;SMR000037563;Oprea1_216110;MLS000037073;ETHYL6-FLUORO-2-METHYLQUINOLINE-3-CARBOXYLATE;CHEMBL1368432;DTXSID90349814;HMS2179F16;MFCD03541053;STK558681;AKOS000267400;AB15556;BS-53120;CS-0118444;FT-0764934;ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate;AF-399/41981345;6-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester AldrichCPR;6-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 0.000532mmHg at 25°C
• Boiling Point: 312.3°C at 760 mmHg
• Flash Point: 142.7°C
• PSA: 39.19000
• Density: 1.216g/cm³
• LogP: 2.85900
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.08520679
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

Ethyl6-Fluoro-2-methylquinoline-3-carboxylate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about Ethyl 6-fluoro-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: 52.0%

5-fluoro-2-nitrobenzaldehyde (395-81-3) + ethyl acetoacetate (141-97-9) → ethyl 6-fluoro-2-methylquinoline-3-carboxylate (282540-26-5)

Guidance literature:

With iron; acetic acid; at 50 ℃; for 1h;

DOI:10.1021/acs.orglett.7b01047

upstream raw materials:

5-fluoro-2-nitrobenzaldehyde

ethyl acetoacetate