ETHYL 4-PYRIDYLACETATE

The 4-Pyridineacetic acid,ethyl ester, with the CAS registry number 54401-85-3, is also known as Ethyl 2-(4-pyridyl)acetate and Ethylpyridylacetate. It belongs to the product categories of Esters; Pyridines; C9 to C46; Heterocyclic Building Blocks. Its EINECS registry number is 259-150-2. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its IUPAC name is called Ethyl 2-pyridin-4-ylacetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.01; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 39.19 Å²; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 44.93 cm³; (9)Molar Volume: 151.9 cm³; (10)Surface Tension: 40 dyne/cm; (11)Density: 1.086 g/cm³; (12)Flash Point: 106.5 °C; (13)Enthalpy of Vaporization: 48.99 kJ/mol; (14)Boiling Point: 252.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0192 mmHg at 25 °C; (16)Meiting Point: 18-19 °C.

Preparation of 4-Pyridineacetic acid,ethyl ester: this chemical can be prepared by Pyridin-4-yl-acetonitrile and Ethanol. The yield is 52%.

Uses of 4-Pyridineacetic acid,ethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Pyridin-4-yl-ethanol.

The reaction occurs with reagent LiAlH₄ and solvent Diethyl ether. The yield is 78%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)Cc1ccncc1
(2) InChI: InChI=1/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
(3) InChIKey: QVLJLWHOILVHJJ-UHFFFAOYAX