2,3-Pyridinedicarboxylic acid dimethyl ester

The cas register number of 2,3-Pyridinedicarboxylic acid dimethyl ester is 605-38-9. It also can be called as Dimethyl 2,3-pyridinedicarboxylate and the IUPAC Name about this chemical is dimethyl pyridine-2,3-dicarboxylate.

Physical properties about 2,3-Pyridinedicarboxylic acid dimethyl ester are: (1)ACD/LogP: 0.12; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.81; (7)ACD/KOC (pH 7.4): 27.81; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 65.49Ų; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 47.89 cm³; (13)Molar Volume: 158.4 cm³; (14)Polarizability: 18.98x10^-24cm³; (15)Surface Tension: 45.3 dyne/cm; (16)Enthalpy of Vaporization: 50 kJ/mol; (17)Boiling Point: 262.3 °C at 760 mmHg; (18)Vapour Pressure: 0.011 mmHg at 25°C.

Preparation: this chemical can be prepared by pyridine-2,3-dicarboxylic acid and methanol. This reaction will need reagent hydrogen chloride. The yield is about 93%.

Uses of 2,3-Pyridinedicarboxylic acid dimethyl ester: it can be used to produce 6-hydroxy-pyridine-2,3-dicarboxylic acid dimethyl ester at temperature of 0 ℃. This reaction will need reagent 10percent F₂ and solvent H₂O, acetonitrile. The yield is about 56%.

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, gloves and eye/face protection. 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(OC)c1ncccc1C(=O)OC
(2)InChI: InChI=1/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3
(3)InChIKey: YLGIBCYHQZTFQL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3
(5)Std. InChIKey: YLGIBCYHQZTFQL-UHFFFAOYSA-N