550612
Ethyl 3-quinolinecarboxylate
97%
Synonym(s):
Quinoline-3-carboxylic acid ethyl ester
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About This Item
Empirical Formula (Hill Notation):
C12H11NO2
CAS Number:
Molecular Weight:
201.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
Regulatory Information
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Photochemical reactions of ethoxycarbonyl-substituted quinolines.
Ono I and Hata N.
Bulletin of the Chemical Society of Japan, 60(8), 2891-2897 (1987)
QUINOLINEMETHANOLS1.
Kaslow CE and Clark WR.
The Journal of Organic Chemistry, 18(1), 55-58 (1953)
Biosynthesis of Penicillins. VI. N-2-Hydroxyethylamides of Some Polycyclic and Heterocyclic Acetic Acids as Precursors1.
Jones RG, et al.
Journal of the American Chemical Society, 70(9), 2843-2848 (1948)
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