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CAS Number: 5100-57-2
ethyl 2-(quinolin-2-yl)acetate

Structure

ethyl 2-(quinolin-2-yl)acetate
Name: ethyl 2-(quinolin-2-yl)acetate
Synonyms:
General Information
Product Number: 5100572

CAS Registry Number 5100-57-2
Name:
2-​Quinolineacetic acid, ethyl ester
Ethyl 2-(2-quinolyl)acetate
Ethyl 2-quinolinylacetate
Ethyl 2-quinolylacetate
Quinolin-2-ylacetic acid ethyl ester

 

Chemical Formula: C13H13NO2
Exact Mass: 215.09
Molecular Weight: 215.25
m/z: 215.09 (100.0%), 216.10 (14.3%), 217.10 (1.4%)

 

InChI:InChI=1S/C13H13NO2/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-8H,2,9H2,1H3

InChI Key:OQQYMAOGIWMABG-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CC1=NC2=CC=CC=C2C=C1

 

Thermal Properties Value Condition Note
Boiling Point 162 °C   (1)CAS
Boiling Point 160 °C Press: 3 Torr (2)IC
Boiling Point 147-150 °C Press: 5 Torr (3)CAS
Boiling Point 142-145 °C Press: 1 Torr (4)IC
Boiling Point 136-137 °C Press: 0.6 Torr (5)CAS
Boiling Point 118-120 °C Press: 0.1 Torr (6)IC

Specification

98%

References
  1. (1) Nagata, Masanori; Yakugaku Zasshi 1960, V80, P1414-17 CAPLUS
  2. (2) Yamanaka, Hiroshi; Chemical & Pharmaceutical Bulletin 1985, V33(10), P4309-13 CAPLUS
  3. (3) Kaslow, C. E.; Journal of Organic Chemistry 1951, V16, P895-8 CAPLUS
  4. (4) Iwao, Masatomo; Journal of Heterocyclic Chemistry 1978, V15(8), P1425-30 CAPLUS
  5. (5) Jones, G.; Tetrahedron 1965, V21(10), P2961-71 CAPLUS
  6. (6) Acheson, R. Morrin; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (9), P2171-9 CAPLUS
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