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| CAS No.: | 15658-60-3 |
|---|---|
| Name: | Diethyl 2,6-pyridinedicarboxylate |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C11H13NO4 |
| Molecular Weight: | 223.229 |
| Synonyms: | 2,6-Pyridinedicarboxylicacid, diethyl ester (6CI,8CI,9CI);2,6-Bis(ethoxycarbonyl)pyridine;2,6-Dicarbethoxypyridine;Diethyl 2,6-pyridinedicarboxylate;Diethyldipicolinate;Dipicolinic acid diethyl ester;NSC 78907; |
| Density: | 1.166 g/cm3 |
| Melting Point: | 44 °C |
| Boiling Point: | 347.32 °C at 760 mmHg |
| Flash Point: | 163.853 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 65.49000 |
| LogP: | 1.43500 |
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Specification
The Diethyl 2,6-pyridinedicarboxylate, with the CAS registry number 15658-60-3, is also known as 2,6-Pyridinedicarboxylic acid, diethyl ester. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Esters; Pyridines and API Intermediates. This chemical's molecular formula is C11H13NO4 and molecular weight is 223.22. What's more, both its IUPAC name and systematic name are the same which is called Diethyl pyridine-2,6-dicarboxylate.
Physical properties about Diethyl 2,6-pyridinedicarboxylate are: (1) ACD/LogP: 1.62; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 6; (6) Polar Surface Area: 65.49 Å2; (7) Index of Refraction: 1.508; (8) Molar Refractivity: 57.15 cm3; (9) Molar Volume: 191.4 cm3; (10) Surface Tension: 43.1 dyne/cm; (11) Density: 1.165 g/cm3; (12) Flash Point: 163.9 °C; (13) Enthalpy of Vaporization: 59.16 kJ/mol; (14) Boiling Point: 347.3 °C at 760 mmHg; (15) Vapour Pressure: 5.43E-05 mmHg at 25 °C; (22) Melting Point: 44 °C.
Preparation of Diethyl 2,6-pyridinedicarboxylate: this chemical is prepared by reaction of Pyridine-2,6-dicarbonyl dichloride with Ethanol.
The reaction occurs with reagent Benzene and other condition of heating for 2 hours.
Uses of Diethyl 2,6-pyridinedicarboxylate: it is used to produce other chemicals. For example, it is used to produce 1,1'-Pyridine-2,6-diyl-bis-ethanone.
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This reaction needs reagent EtONa and solvent Ethyl acetate on condition of heating for 12 hours. The yield is 58.8%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1nc(C(=O)OCC)ccc1
(2) InChI: InChI=1/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
(3) InChIKey: KTOBUCHVPBPHMK-UHFFFAOYAB