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CAS Number: 4591-56-4
diethyl pyridine-3,5-dicarboxylate

Structure

diethyl pyridine-3,5-dicarboxylate
Name: diethyl pyridine-3,5-dicarboxylate
Synonyms:
General Information
Product Number: 4591564
CAS Registry Number: 4591-56-4
Name:
        3,​5-​Pyridinedicarboxylic acid, 3,​5-​diethyl ester
        3,​5-​Pyridinedicarboxylic acid, diethyl ester (6CI,​7CI,​8CI,​9CI); 3,​5-​Dicarbethoxypyridine; 3,​5-​Diethoxycarbonylpyri​dine; Diethyl dinicotinate; Diethyl pyridine-​3,​5-​dicarboxylate; NSC 165814 
 
Chemical Formula: C11H13NO4
Exact Mass: 223.08
Molecular Weight: 223.23
m/z: 223.08 (100.0%), 224.09 (12.2%), 225.09 (1.5%)
Elemental Analysis: C, 59.19; H, 5.87; N, 6.27; O, 28.67
 
InChI: InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey: PGGQCHVPWSXPSI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=CN=C1)C(=O)OCC
 
Thermal Properties Value Condition Note
Boiling Point 145 °C Press: 1 Torr (1)CAS
Melting Point 51 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 48.7 °C   (3)CAS
Melting Point 48-49 °C   (5)CAS
Melting Point 48-48.5 °C Solv: hexane (110-54-3) (2)CAS
Melting Point 42-44 °C   (6)IC

Specification

98%

References
  1. (1) Stetter, Hermann; Chemische Berichte 1955, V88, P789-95 CAPLUS
  2. (2) Chuang, Ta-Hsien; Journal of Organic Chemistry 2010, V75(19), P6625-6630 CAPLUS
  3. (3) Monmoton, Sophie; Macromolecular Chemistry and Physics 2008, V209(23), P2382-2389 CAPLUS
  4. (4) 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.
  5. (5) Galinovsky, F.; Monatshefte fuer Chemie 1955, V86, P449-53 CAPLUS
  6. (6) Bodor, Nicholas S.; US 4824850 A 1989 CAPLUS
  7. (7) Speelman, Johanna C.; Journal of Organic Chemistry 1990, V55(2), P647-53 CAPLUS
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