3-Pyridineacetic acid,methyl ester (39998-25-9)

The Methyl pyridine-3-acetate, with the CAS registry number 39998-25-9, is also known as 3-Pyridineacetic acid, methyl ester. Its EINECS number is 254-739-0. This chemical's molecular formula is C₈H₉NO₂ and molecular weight is 151.16. Its IUPAC name is called methyl 2-pyridin-3-ylacetate.

Physical properties of Methyl pyridine-3-acetate: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.25; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 39.95; (8)ACD/KOC (pH 7.4): 43.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 40.3 cm³; (14)Molar Volume: 135.4 cm³; (15)Surface Tension: 40.8 dyne/cm; (16)Density: 1.115 g/cm³; (17)Flash Point: 95.1 °C; (18)Enthalpy of Vaporization: 47.03 kJ/mol; (19)Boiling Point: 233.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0554 mmHg at 25°C.

Uses of Methyl pyridine-3-acetate: it can be used to produce methyl a-diazo-3-pyridylacetate at ambient temperature. This reaction will need reagent tosyl azide, KF-Al₂O₃ and solvent acetonitrile with reaction time of 3 days. The yield is about 50.8%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CN=CC=C1
(2)InChI: InChI=1S/C8H9NO2/c1-11-8(10)5-7-3-2-4-9-6-7/h2-4,6H,5H2,1H3
(3)InChIKey: PZXIEBDIPWIRGB-UHFFFAOYSA-N