Diethyl 2,6-pyridinedicarboxylate
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Diethyl 2,6-pyridinedicarboxylate
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CAS No:
15658-60-3
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Formula:
C11H13NO4
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Chemical Name:
Diethyl 2,6-pyridinedicarboxylate
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Synonyms:
2,6-Pyridinedicarboxylic acid,2,6-diethyl ester;2,6-Pyridinedicarboxylic acid,diethyl ester;Diethyl 2,6-pyridinedicarboxylate;Diethyl dipicolinate;Dipicolinic acid diethyl ester;2,6-Bis(ethoxycarbonyl)pyridine;NSC 78907;2,6-Dicarbethoxypyridine;2,6-Diethyl pyridine-2,6-dicarboxylate
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CAS No:
Diethyl 2,6-pyridinedicarboxylate Basic Attributes
223.23
223.23
605-063-3
NS92Z2IS34
78907
DTXSID50166100
29333990
Characteristics
65.5
2
1.165±0.06 g/cm3(Predicted)
28 °C
143-145 °C @ Press: 1 Torr
163.9±22.3 °C
1.509
5.43E-05mmHg at 25°C
Safety Information
36/37/38
26-36/37/39
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Diethyl 2,6-pyridinedicarboxylate Use and Manufacturing
Thionyl chloride (360 mg, 3 mmol) was added dropwise to a solution of pyridine-2, 6-dicarboxylate (170 mg, 1 mmol) (2) in EtOH (5 mL) at -20 60 g (359.02 mmol) of pyridine-2, 6-dicarboxylic acid and 250 mL (3446. 54 mmol) of S0C12 were added to a 1000 mL round bottom flask and mixed, After refluxing for 8 h, S0C12 was distilled off, and then 300 mL (5140.76 mmol) of absolute ethanol was added dropwise under ice-cooling. The mixture was stirred at room temperature for 8 hours and then concentrated to dryness. The residue was washed with 300 mL of water and then treated with potassium carbonate Adjusted to pH 7 and then extracted three times with 150 mL of methylene chloride. The organic phases were combined and the organic phase was washed with 200 mL of saturated brine, And dried over anhydrous sodium sulfate, filtered and dried to give 66 g (295. 66 mmol) of the yellowish crystalline solid, pyridine-2, 6-dicarboxylic acid diethyl ester, in 82.35percent yield;A general synthetic procedure is as follows. Pyridine-2, 6-dicarboxylic acid (1, 1.5 g, 8.98 mmol) was mixed with 24 mL of SOCl
Computed Properties
Molecular Weight:223.22
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:223.08445790
Monoisotopic Mass:223.08445790
Topological Polar Surface Area:65.5
Heavy Atom Count:16
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Diethyl 2,6-pyridinedicarboxylate
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