1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE
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1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE
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CAS No:
42182-25-2
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Formula:
C7H8N2O
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Chemical Name:
1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE
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Synonyms:
1-(2-Aminopyridin-4-yl)ethanone;1-(2-AMINOPYRIDIN-4-YL)ETHAN-1-ONE;1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE;1-(2-AMINO-4-PYRIDINYL)ETHANONE;SCHEMBL1159738;DTXSID00521846;KS-00000RK4;1-(2-amino-4-pyridyl)-1-ethanone;ZINC39407668;AKOS006360296
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CAS No:
1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE Use and Manufacturing
To a stirred solution of methyl-2-aminopyridine-4-carboxylate (35) (1.00 g, 6.57 mmol) in THF (100 mL), at −78° C. under nitrogen, was added methyllithium (1.6 M in diethyl ether, 16.4 mL, 26.3 mmol), over 10 min. After a further 30 min at −78° C., the viscous reaction mixture was warmed to 0° C. After a further 3 hr, the reaction was quenched at 0° C. by the cautious addition of iso-propanol (8.0 mL). The mixture was warmed to RT, brine (200 mL) and EtOAc (150 mL) were added, and the layers were separated. The aqueous layer was extracted with EtOAc (3×100 mL), and the combined organic extracts were dried and the solvents removed in vacuo. The crude residue was purified by column chromatography (SiOTo a stirred solution of methyl-2-aminopyridine-4-carboxylate (35) (1.00 g, 6.57 mmol) in THF (100 mL), at −78° C. under nitrogen, was added methyllithium (1.6 M in diethyl ether, 16.4 mL, 26.3 mmol), over 10 min. After a further 30 min at −78° C., the viscous reaction mixture was warmed to 0° C. After a further 3 hr, the reaction was quenched at 0° C. by the cautious addition of iso-propanol (8.0 mL). The mixture was warmed to RT, brine (200 mL) and EtOAc (150 mL) were added, and the layers were separated. The aqueous layer was extracted with EtOAc (3×100 mL), and the combined organic extracts were dried and the solvents removed in vacuo. The crude residue was purified by column chromatography (SiO
Computed Properties
Molecular Weight:136.15
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:136.063662883
Monoisotopic Mass:136.063662883
Topological Polar Surface Area:56
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(2-AMINO-PYRIDIN-4-YL)-ETHANONE
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