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CAS Number: 1658-42-0
methyl 2-(pyridin-2-yl)acetate

Structure

 methyl 2-(pyridin-2-yl)acetate
Name: methyl 2-(pyridin-2-yl)acetate
Synonyms:
General Information
Product Number: 1658420
CAS Registry Number: 1658-42-0
Name:
2-​Pyridineacetic acid, methyl ester
2-​Pyridylacetic acid methyl ester; 2-​[(Methoxycarbonyl)​methyl]​pyridine; Methyl 2-​(2-​pyridyl)​acetate; Methyl 2-​pyridineacetate; Methyl 2-​pyridinylacetate; Methyl 2-​pyridylacetate; NSC 72093; Pyridin-​2-​ylacetic acid methyl ester 
 
Chemical Formula: C8H9NO2
Exact Mass: 151.06
Molecular Weight: 151.16
m/z: 151.06 (100.0%), 152.07 (8.8%)
Elemental Analysis: C, 63.56; H, 6.00; N, 9.27; O, 21.17
 
InChI: InChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=CC=CC=N1
 
Thermal Properties Value Condition Note
Boiling Point 120 °C Press: 10 Torr (1)CAS
Boiling Point 115-117 °C Press: 12 Torr (2)CAS
Boiling Point 114 °C Press: 10 Torr (3)CAS
Boiling Point 74-78 °C Press: 2 Torr (4)CAS
Boiling Point 64-66 °C Press: 1 Torr (5)CAS
Boiling Point See full text   (6)CAS

Specification

98%
References
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  2. (2) Tilford, Charles H.; Journal of the American Chemical Society 1954, V76, P2431-41 CAPLUS
  3. (3) Exner, Otto; Chemicke Listy pro Vedu a Prumysl 1953, V47, P869-73 CAPLUS
  4. (4) Dummel, Robert J.; Journal of the American Chemical Society 1956, V78, P1936-7 CAPLUS
  5. (5) Wisneski, Harris Harvey; The preparation of polymethylquinolines and polymethyl-8-nitroquinolines 1965, P92 pp. CAPLUS
  6. (6) Gruber, W.; Monatshefte fuer Chemie 1950, V81, P473-9 CAPLUS
  7. (7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  8. (8) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  9. (9) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  10. (10) Allen, Annette D.; Journal of the American Chemical Society 2004, V126(48), P15777-15783 CAPLUS
  11. (11) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  12. (12) Quintal, Susana M. O.; Inorganic Chemistry 2005, V44(15), P5247-5253 CAPLUS
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