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CAS Number: 54401-85-3
ethyl 2-(pyridin-4-yl)acetate

Structure

ethyl 2-(pyridin-4-yl)acetate
Name: ethyl 2-(pyridin-4-yl)acetate
Synonyms:
General Information
Product Number: 54401853

CAS Registry Number: 54401-85-3

Name:

4-​Pyridineacetic acid, ethyl ester
(4-​Pyridyl)​acetic acid ethyl ester; (Pyridin-​4-​yl)​acetic acid ethyl ester; 2-​(4-​Pyridyl)​acetic acid ethyl ester; 2-​(Pyridin-​4-​yl)​ethanoic acid ethyl ester; Ethyl 2-​(4-​pyridinyl)​acetate; Ethyl 2-​(4-​pyridyl)​acetate; Ethyl 4-​pyridineacetate; Ethyl 4-​pyridinylacetate; Ethyl 4-​pyridylacetate 

 

Chemical Formula: C9H11NO2
Exact Mass: 165.08
Molecular Weight: 165.19
m/z: 165.08 (100.0%), 166.08 (10.2%)

 

InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
InChIKey: QVLJLWHOILVHJJ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=CC=NC=C1

 

Thermal Properties Value Condition Note
Boiling Point 131-135 °C Press: 20 Torr (1)IC
Boiling Point 129-132 °C Press: 12 Torr (2)CAS
Boiling Point 119-120 °C Press: 11 Torr (3)CAS
Boiling Point 107-108 °C Press: 3 Torr (4)CAS
Boiling Point 107-108 °C Press: 3 Torr (5)CAS
Boiling Point 86-90 °C Press: 0.2-0.4 Torr (6)CAS
Boiling Point 73.5 °C Press: 0.15 Torr (7)CAS
Melting Point 18-19 °C   (7)CAS

Specification

98%

References
  1. (1) Jaensch, Hans Joachim; DD 278785 A1 1990 CAPLUS
  2. (2) Hiltmann, Rudolf; DE 1073497 1960 CAPLUS
  3. (3) Lukes, R.; Collection of Czechoslovak Chemical Communications 1949, V14, P679-87 CAPLUS
  4. (4) Malan, Rodwick L.; Journal of the American Chemical Society 1947, V69, P1797-8 CAPLUS
  5. (5) Yakhontov, L. N.; Zhurnal Obshchei Khimii 1957, V27, P72-7 CAPLUS
  6. (6) Barash, M.; Journal of the Chemical Society 1959, P2157-68 CAPLUS
  7. (7) Hey, J. W.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1953, V72, P522-6 CAPLUS
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  9. (9) Abbotto, Alessandro; Journal of Organic Chemistry 1993, V58(2), P444-8 CAPLUS
  10. (10) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  11. (11) Sammes, Michael P.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (9), P2476-82 CAPLUS
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