550612

Ethyl 3-quinolinecarboxylate

97%

• Synonym(s): Quinoline-3-carboxylic acid ethyl ester
• Empirical Formula (Hill Notation): C₁₂H₁₁NO₂
• CAS Number: 50741-46-3
• Molecular Weight: 201.22
• MDL number: MFCD00957421
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879131
• NACRES: NA.22

Properties

• Assay: 97%
• bp: 120 °C/0.4 mmHg (lit.)
• mp: 63-67 °C (lit.)
• functional group: ester
• SMILES string: CCOC(=O)c1cnc2ccccc2c1
• InChI: 1S/C12H11NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3
• InChI key: OTTDACPMYLDVTL-UHFFFAOYSA-N

Description

General description

Ethyl 3-quinolinecarboxylate can be prepared from 3-quinolinecarboxylic acid by treating with thionyl chloride followed by esterification with ethanol. Its photochemical reaction in various alcohols and cyclohexane show that the nature of the solvent has an impact on the product formation.

Application

Ethyl 3-quinolinecarboxylate may be used as a starting material in the preparation of 5-quinolinemethanol and ethyl 3-quinolineacetate.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves