Ethyl 2-pyridylacetate

The Ethyl 2-pyridylacetate, with the CAS registry number 2739-98-2 and EINECS registry number 220-365-1, has the systematic name of ethyl pyridin-2-ylacetate. It is a kind of clear yellow liquid, and belongs to the product categories of Acetics acid and esters. And the molecular formula of the chemical is C₉H₁₁NO₂.

The characteristics of Ethyl 2-pyridylacetate are as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.14; (6)ACD/BCF (pH 7.4): 3.42; (7)ACD/KOC (pH 5.5): 76.99; (8)ACD/KOC (pH 7.4): 83.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 44.93 cm³; (15)Molar Volume: 151.9 cm³; (16)Polarizability: 17.81×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.086 g/cm³; (19)Flash Point: 95.1 °C; (20)Enthalpy of Vaporization: 54.18 kJ/mol; (21)Boiling Point: 301.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00104 mmHg at 25°C.

Preparation of Ethyl 2-pyridylacetate: This chemical can be prepared by 2-iodo-pyridine and zincique du bromacetate d'ethyle. The reaction will need reagent tetrahydrofuran and 1,2-dimethoxy-ethane, and the catalyst tetrakis(triphenylphosphine)palladium. The reaction time is 1.5 hours with heating, and the yield is about 55%. 

Uses of Ethyl 2-pyridylacetate: It can react with ethoxymethylene-malonic acid diethyl ester to produce 4-oxo-4H-quinolizin-1,3-dicarboxylic acid diethyl ester. This reaction will need reagent 1M sodium ethoxide, and the menstruum ethanol. The reaction time is 0.5 hours with temperature of 25°C, and the yield is about 52%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)Cc1ncccc1
(2)InChI: InChI=1/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
(3)InChIKey: IUDKTVXSXWAKJO-UHFFFAOYAD