METHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE
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METHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE
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CAS No:
27825-20-3
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Formula:
C6H6N2O3
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Chemical Name:
METHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE
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Synonyms:
Methyl 2-hydroxy-3-pyrazinecarboxylate;Methyl 3-hydroxypyrazine-2-carboxylate;Methyl 3-Hydroxy-2-pyrazinecarboxylate;methyl 2-oxo-1H-pyrazine-3-carboxylate;methyl 3-oxo-3,4-dihydropyrazine-2-carboxylate;MFCD03093338;Pyrazinecarboxylic acid, 3,4-dihydro-3-oxo-, methyl ester;Q63396404;KSC495G4N;SCHEMBL871602
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CAS No:
Characteristics
67.8
-0.4
1.4±0.1 g/cm3
154 °C
417.9°C at 760 mmHg
206.5±27.3 °C
1.556
1.41E-07mmHg at 25°C
METHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE Use and Manufacturing
(1) 308 g (2 mol, 1 eq) of 458 g (3 mol, 1 eq) of 3-Hydroxypyrazine-2-carboxylic acid methyl ester (1 g, 6.49 mmol, 1 eq.) Was added to a suspension of sodium hydride (60%, 259 mg, 6.49 mmol, 1 eq.DMF (50 mL). The reaction solution was stirred at room temperature for 1 h and then (3, 3-dimethoxycyclobutyl) methylmethanesulfonate(1.46 g, 6.49 mmol, 1 eq.) Was added and the mixture was stirred at 130 & lt; 0 & gt; C for 18 h. After completion of the reaction, the mixture was diluted with 50 mL of waterThe mixture was extracted with EtOAc (60 mL x 2) and the organic phase was washed with saturated sodium chloride solution (60 mL x 2), dried over anhydrous sodium sulfate, Filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: PE / EtOAc (v / v) = 3/1) to give the title compound as a white solid(220 mg, 54%).
Computed Properties
Molecular Weight:154.12
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:154.03784206
Monoisotopic Mass:154.03784206
Topological Polar Surface Area:67.8
Heavy Atom Count:11
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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METHYL 2-HYDROXY-3-PYRAZINECARBOXYLATE
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