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550612

Sigma-Aldrich

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:
50741-46-3
Molecular Weight:
201.22
MDL number:
MFCD00957421
UNSPSC Code:
12352100
PubChem Substance ID:
24879131
NACRES:
NA.22

Assay

97%

bp

120 °C/0.4 mmHg (lit.)

mp

63-67 °C (lit.)

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

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

新产品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)

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