CAS No.51146-04-4,2-Hydroxy-6-methylpyridine-3-carboxylic acid ethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51146-04-4
Name:	2-Hydroxy-6-methylpyridine-3-carboxylic acid ethyl ester
Article Data:	6

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.19
Synonyms:	ethyl 6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate;
Density:	1.163 g/cm³
Boiling Point:	370 °C at 760 mmHg
Flash Point:	177.6 °C
PSA:	59.42000
LogP:	1.27230

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Specification

The 2-Hydroxy-6-methylpyridine-3-carboxylic acid ethyl ester is an organic compound with the formula C₉H₁₁NO₃. The systematic name of this chemical is ethyl 6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate. With the CAS registry number 51146-04-4, it is also named as 3-pyridinecarboxylic acid, 2-hydroxy-6-methyl-, ethyl ester. In addition, the molecular weight is 181.19.

The other characteristics of 2-Hydroxy-6-methylpyridine-3-carboxylic acid ethyl ester can be summarized as: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.52; (8)ACD/KOC (pH 7.4): 26.5; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 46.02 cm³; (15)Molar Volume: 155.6 cm³; (16)Polarizability: 18.24×10^-24 cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 177.6 °C; (20)Enthalpy of Vaporization: 61.68 kJ/mol; (21)Boiling Point: 370 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-05 mmHg at 25°C.

Preparation of (1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine: It can be obtained by ethyl 1,2-dihydro-2-oxo-4-chloro-6-methylpyridine-3-carboxylate. This reaction needs reagents H₂, aq. NaOH, catalytic agent 30percent Pd/C and solvent ethanol at ambient temperature. The reaction time is 1.75 hours. The yield is 88%.

(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine can be obtained by ethyl 1,2-dihydro-2-oxo-4-chloro-6-methylpyridine-3-carboxylate

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC)\C1=C\C=C(\C)NC1=O
2. InChI:InChI=1/C9H11NO3/c1-3-13-9(12)7-5-4-6(2)10-8(7)11/h4-5H,3H2,1-2H3,(H,10,11)
3. InChIKey:PQCSOHWXRCPXRQ-UHFFFAOYAS