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3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester

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Name

3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester

EINECS N/A
CAS No. 1796-83-4 Density 1.231 g/cm3
PSA 65.49000 LogP 0.65480
Solubility N/A Melting Point N/A
Formula C9H9NO4 Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 195.175 Flash Point 101.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1796-83-4 (3,4-Pyridinedicarboxylic acid dimethyl ester) Hazard Symbols N/A
Synonyms

3,4-Pyridinedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);Cinchomeronic acid, dimethyl ester;Dimethyl 3,4-pyridinedicarboxylate;

Article Data 1

3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester Specification

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.

3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester can be prepared by Pyridine-3,4-dicarboxylic acid with Methanol.

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 %.

3,4-Pyridinedicarboxylicacid, 3,4-dimethyl ester can react with Ethylamine to get Pyridine-3,4-dicarboxylic acid diethylamide.

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

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