3-Methyl-5-nitro-2(1H)-pyridinone
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3-Methyl-5-nitro-2(1H)-pyridinone
structure -
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CAS No:
21901-34-8
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Formula:
C6H6N2O3
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Chemical Name:
3-Methyl-5-nitro-2(1H)-pyridinone
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Synonyms:
2(1H)-Pyridinone,3-methyl-5-nitro-;2-Pyridinol,3-methyl-5-nitro-;3-Methyl-5-nitro-2(1H)-pyridinone;2-Hydroxy-3-methyl-5-nitropyridine;6-Hydroxy-5-methyl-3-nitropyridine;3-Methyl-5-nitro-2-pyridinol;NSC 63888;3-Methyl-5-nitropyridin-2(1H)-one;2-Hydroxy-5-nitro-3-picoline;3-Methyl-5-nitro-1H-pyridin-2-one;3-Methyl-5-nitro-1,2-dihydropyridin-2-one
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CAS No:
3-Methyl-5-nitro-2(1H)-pyridinone Basic Attributes
154.12
154.12
126949
244-647-9
63888
DTXSID40176314
2933399090
Characteristics
74.9
0.1
Green-yellow solid
1.4±0.1 g/cm3
228.5-229.5 °C
327.2°C at 760 mmHg
203.4±28.7 °C
1.605
Room temperature.
0.000205mmHg at 25°C
Safety Information
III
2811
3
36/37/38-41-37/38-22
37/39-26-36
Xi,Xn
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Methyl-5-nitro-2(1H)-pyridinone Use and Manufacturing
A 3-necked, 2-L, round-bottomed flask equipped with a mechanical stirrer, an addition funnel and a thermometer was placed in an ice-water bath. Conc. H Synthesis of the 2-(1-ethyleneimine)-3-carbamoyl-5-nitropyridine (compound IV) [Show Image] The reagents used is ( i ) HNOA solution of 2-amino-3-picoline (5 g, 46 mmol) in c-HTo a stirred solution of 3-methylpyridin-2-ol (280 g, 2.56 mol) in H2504 (750 mL) cooled down to0 00 was added H2504 (180 mL) and 70percent HNO3 (180 mL) dropwise to keep the temperature at20-25 00 The resulting solution was stirred at RT for 2 hr, 70 percent HNO3 (180 mL) was addeddropwise keeping the temperature below 35 00 water (500 mL) was added dropwise keeping the temperature below 50-60 00 The resulting mixture was heated up and stirred 2 hr at 115 00 The reaction was cooled down to RT then, to 0 00 by adding ice into it. The resulting solidwas filtrated off, washed with cold Et20 and dried under reduced pressure to afford the title product (362 g, 2.35 mol, 92percent yield). 1H NMR (DMSO-d6, 400 MHz) ö ppm 12.55 (5, 1H), 8.56- 8.54 (d, J=3.2 Hz, 1H), 8.05 (5, 1H), 2.04 (5, 3H).
Computed Properties
Molecular Weight:154.12
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:154.03784206
Monoisotopic Mass:154.03784206
Topological Polar Surface Area:74.9
Heavy Atom Count:11
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Methyl-5-nitro-2(1H)-pyridinone
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