3,4-Pyridinedicarboxylic acid dimethyl ester

The 3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester, with the CAS registry number 1796-83-4, is also known as 3,4-Pyridinedicarboxylic acid, dimethyl ester. This chemical's molecular formula is C₉H₉NO₄ and molecular weight is 195.05. What's more, its systematic name is called Dimethyl pyridine-3,4-dicarboxylate.

Physical properties about 3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1.42; (7)ACD/KOC (pH 5.5): 44.78; (8)ACD/KOC (pH 7.4): 44.79; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.49 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 47.89 cm³; (15)Molar Volume: 158.4 cm³; (16)Surface Tension: 45.3 dyne/cm; (17)Density: 1.231 g/cm³; (18)Flash Point: 101.8 °C; (19)Enthalpy of Vaporization: 48.18 kJ/mol; (20)Boiling Point: 244.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0299 mmHg at 25 °C.

Preparation of 3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester: this chemical can be prepared by Pyridine-3,4-dicarboxylic acid with Methanol. This reaction needs reagent H₂SO₄ and other condition of heating for 20 hours.

Uses of 3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester: it is used to produce other chemicals. For example, it can react with Ethylamine to get Pyridine-3,4-dicarboxylic acid diethylamide. The reaction occurs with solvent methanol at ambient temperature. The yield is 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1c(C(=O)OC)ccnc1
(2) InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-10-5-7(6)9(12)14-2/h3-5H,1-2H3
(3) InChIKey: AUQUSBAFIHOGHK-UHFFFAOYSA-N