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
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C12H11NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3
SMILES string
CCOC(=O)c1cnc2ccccc2c1
InChI key
OTTDACPMYLDVTL-UHFFFAOYSA-N
assay
97%
bp
120 °C/0.4 mmHg (lit.)
mp
63-67 °C (lit.)
functional group
ester
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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QUINOLINEMETHANOLS1.
Kaslow CE and Clark WR.
The Journal of Organic Chemistry, 18(1), 55-58 (1953)
Photochemical reactions of ethoxycarbonyl-substituted quinolines.
Ono I and Hata N.
Bulletin of the Chemical Society of Japan, 60(8), 2891-2897 (1987)
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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