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| CAS No.: | 6924-68-1 |
|---|---|
| Name: | Ethyl pyrazinecarboxylate |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | Pyrazinecarboxylicacid, ethyl ester (7CI,8CI,9CI); |
| EINECS: | 230-045-3 |
| Density: | 1.167 g/cm3 |
| Melting Point: | 49 °C |
| Boiling Point: | 236.8 °C at 760 mmHg |
| Flash Point: | 97 °C |
| PSA: | 52.08000 |
| LogP: | 0.65330 |
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- Total:34 Page 1 of 1 1
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Specification
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 %.
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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 %.
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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