DIETHYL 2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE

The 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester is an organic compound with the formula C₁₃H₁₇NO₄. The IUPAC name of this chemical is diethyl 2,6-dimethylpyridine-3,5-dicarboxylate. With the CAS registry number 1149-24-2, it is also named as 2,6-Dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester. The product's categories are Heterocyclic Compounds; Pyridines; C9 to C46; Heterocyclic Building Blocks. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester are: (1)ACD/LogP: 3.30; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 65.49 Å2; (5)Index of Refraction: 1.508; (6)Molar Refractivity: 66.8 cm³; (7)Molar Volume: 224 cm³; (8)Polarizability: 26.48×10^-24cm³; (9)Surface Tension: 40.7 dyne/cm; (10)Density: 1.121 g/cm³; (11)Flash Point: 141 °C; (12)Enthalpy of Vaporization: 54.16 kJ/mol; (13)Boiling Point: 301.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00105 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester. This reaction will need reagent conc. sulfuric acid/nitric acid and solvent H₂O by heating.

Uses of 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-,3,5-diethyl ester: it can be used to produce 2,6-bis-bromomethyl-pyridine-3,5-dicarboxylic acid diethyl ester by heating. It will need reagent NBS, AIBN and solvent chlorobenzene with reaction time of 3.5 hours. The yield is about 21%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, 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)c1cc(c(nc1C)C)C(=O)OCC
(2)InChI: InChI=1/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3
(3)InChIKey: DIIWSYPKAJVXBV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3
(5)Std. InChIKey: DIIWSYPKAJVXBV-UHFFFAOYSA-N