Ethyl Quinoline-7-carboxylate

Base Information

• Chemical Name: Ethyl Quinoline-7-carboxylate
• CAS No.: 104294-00-0
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.225
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30396589
• Wikidata: Q82197377
• Mol file: 104294-00-0.mol

Synonyms:Ethyl Quinoline-7-carboxylate;104294-00-0;ETHYL 7-QUINOLINECARBOXYLATE;Ethylquinoline-7-carboxylate;7-Quinolinecarboxylic acid, ethyl ester;SCHEMBL2671850;DTXSID30396589;PPZOEUCJAYRMHY-UHFFFAOYSA-N;MFCD00160629;AKOS016844861;CS-W004194;SB22849;s10468;FT-0748743

Chemical Property of Ethyl Quinoline-7-carboxylate

Chemical Property:

• Melting Point: 52-53 °C
• Boiling Point: 145-150 °C(Press: 2 Torr)
• PKA: 3.04±0.14(Predicted)
• PSA: 39.19000
• Density: 1.175±0.06 g/cm3(Predicted)
• LogP: 2.41150
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

98%min ^*data from raw suppliers

Ethylquinoline-7-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=CC=N2)C=C1

Technology Process of Ethyl Quinoline-7-carboxylate

There total 3 articles about Ethyl Quinoline-7-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:

7-methylquinoline (612-60-2) → quinoline-7-carboxylic acid ethyl ester (104294-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄; CrO₃

2: SOCl₂

With chromium(VI) oxide; thionyl chloride; sulfuric acid;

DOI:10.1021/ja01216a093

Reference yield:

quinoline-7-carboxylic acid (1078-30-4) + ethanol (64-17-5) → quinoline-7-carboxylic acid ethyl ester (104294-00-0)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01216a093

Reference yield:

→ quinoline-7-carboxylic acid ethyl ester (104294-00-0)

Guidance literature:

Chinolin-carbonsaeure-(7), 1. SOCl2, 2. wfr. A.;

upstream raw materials:

quinoline-7-carboxylic acid

ethanol

7-methylquinoline

Downstream raw materials:

2-methoxyquinoline-7-carboxylic acid

ethyl 2-chloroquinoline-7-carboxylate