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3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester

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Name

3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester

EINECS N/A
CAS No. 1149-24-2 Density 1.121 g/cm3
PSA 65.49000 LogP 2.05180
Solubility N/A Melting Point 72-74 °C(lit.)
Formula C13H17NO4 Boiling Point 301.5 °C at 760 mmHg
Molecular Weight 251.282 Flash Point 141 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1149-24-2 (DIETHYL 2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, diethyl ester (6CI,7CI,8CI,9CI);2,6-Dimethyl-3,5-di(ethoxycarbonyl)pyridine;2,6-Dimethyl-3,5-dicarbethoxypyridine;2,6-Dimethyl-3,5-pyridinedicarboxylicacid diethyl ester;3,5-Bis(ethoxycarbonyl)-2,6-dimethylpyridine;3,5-Di(ethoxycarbonyl)-2,6-dimethylpyridine;3,5-Dicarbethoxy-2,6-dimethylpyridine;3,5-Dicarboethoxy-2,6-dimethylpyridine;Diethyl 2,6-dimethyl-3,5-dicarboxylate;Diethyl2,6-dimethyl-3,5-pyridinedicarboxylate;NSC 58515;

Article Data 31

3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester Specification

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

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