2-Methoxy-5-nitro-3-picoline
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2-Methoxy-5-nitro-3-picoline
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CAS No:
89694-10-0
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Formula:
C7H8N2O3
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Chemical Name:
2-Methoxy-5-nitro-3-picoline
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Synonyms:
2-METHOXY-5-NITRO-3-PICOLINE;Pyridine,2-Methoxy-3-Methyl-5-nitro-
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CAS No:
2-Methoxy-5-nitro-3-picoline Use and Manufacturing
3-Methyl-5-nitropyridin-2-ol (134 g, 0.872 mol) (J. Org. Chem. 1949, 14, 328-332) was divided into 3 portions and placed in three 1-L round bottom flasks. POCl(lb) 2-Methoxy-3-methyl-5-nitropyridine [Formula 9]; Concentrated sulfuric acid (5 ml) and fuming nitric acid (5 ml) were added to 2-methoxy-3- methylpyridine (1.61 g, 13.1 mmol) under ice cooling, and stirred at 0°C for 1 hour and further stirred at room temperature overnight. The reaction mixture was poured onto ice, neutralized with ammonia solution, extracted with ethyl acetate, dried over magnesium sulfate, the solvent was evaporated, thereby yielding the title compound (1.63 g, 9.71 mmol, and 74percent).
Computed Properties
Molecular Weight:168.15
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:168.05349212
Monoisotopic Mass:168.05349212
Topological Polar Surface Area:67.9
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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