Ethyl pyrazinecarboxylate

The Ethyl pyrazinecarboxylate, with the CAS registry number of 6924-68-1, is also known as Pyrazinecarboxylic acid, ethyl ester (7CI,8CI,9CI). It belongs to the product category of Glycinescaffold. Its EINECS registry number is 230-045-3. This chemical's molecular formula is C₇H₈N₂O₂ and molecular weight is 152.15. What's more, its IUPAC name is Ethyl pyrazine-2-carboxylate.

Physical properties about the Ethyl pyrazinecarboxylate are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.92; (8)ACD/KOC (pH 7.4): 30.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 38.84 cm³; (15)Molar Volume: 130.2 cm³; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.167 g/cm³; (18)Flash Point: 97 °C; (19)Enthalpy of Vaporization: 47.36 kJ/mol; (20)Boiling Point: 236.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0464 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Pyrazine with 2-Oxo-propionic acid ethyl ester. The reaction needs reagents 30 % H₂O₂, FeSO₄*7H₂O, Conc. H₂SO₄ and solvents H₂O, CH₂Cl₂. The reaction time is 15 mins with reaction temperature of -10 - 0 °C. The yield is about 85 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-3-oxo-3-pyrazin-2-yl-propionic acid methyl ester at 20 °C. This reaction needs reagent NaH. Meanwhile, it needs solvent Dimethylformamide. The yield is about 42 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OCC)c1nccnc1
(2) InChI:InChI=1/C7H8N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3
(3) InChIKey:SZYQPTAROQANMV-UHFFFAOYAZ