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CAS Number: 26377-17-3
ethyl 3-oxo-3-(pyridin-4-yl)propanoate

Structure

ethyl 3-oxo-3-(pyridin-4-yl)propanoate
Name: ethyl 3-oxo-3-(pyridin-4-yl)propanoate
Synonyms:
General Information
Product Number: 26377173

CAS Registry Number 26377-17-3
Name:
4-​Pyridinepropanoic acid, β-​oxo-​, ethyl ester
4-Pyridinepropionic acid, β-oxo-, ethyl ester (6CI,7CI,8CI)
3-Oxo-3-(pyridin-4-yl)propanoic acid ethyl ester
3-Oxo-3-pyridin-4-ylpropionic acid ethyl ester
Ethyl 3-(4-pyridyl)-3-oxopropionate
Ethyl 3-(pyridin-4-yl)-3-oxopropanoate

 

Chemical Formula: C10H11NO3
Exact Mass: 193.07
Molecular Weight: 193.20
m/z: 193.07 (100.0%), 194.08 (11.1%), 195.08 (1.2%)

 

InChI:InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3

InChI Key:PCJNYGPKMQQCPX-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CC(=O)C1=CC=NC=C1

 

Thermal Properties Value Condition Note
Boiling Point 163-169 °C Press: 4 Torr (1)CAS
Boiling Point 80-82 °C Press: 0.03 Torr (2)CAS
Melting Point 162 °C   (7)CAS
Melting Point 69.1 °C   (5)CAS
Melting Point 60 °C Solv: ligroine (8032-32-4) (2)CAS
Melting Point 55-57 °C   (3)CAS
Melting Point 55-57 °C   (8)IC
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (1) Vul'fson, N. S.; Zhurnal Obshchei Khimii 1964, V34(7), P2387-90 CAPLUS
  2. (2) Korte, Friedhelm; Chemische Berichte 1962, V95, P2444-52 CAPLUS
  3. (3) Katritzky, Alan R.; Journal of Organic Chemistry 2004, V69(20), P6617-6622 CAPLUS
  4. (5) Lehmann, Frank; Journal of Combinatorial Chemistry 2008, V10(3), P364-367 CAPLUS
  5. (7) Urbanski, T.; Roczniki Chemii 1954, V28, P677-8 CAPLUS
  6. (8) Carabateas, Philip M.; Journal of Heterocyclic Chemistry 1984, V21(6), P1849-56 CAPLUS
  7. (9) Wunderlich, W.; Journal fuer Praktische Chemie (Leipzig) 1955, V2(4), P302-7 CAPLUS
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