2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
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2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
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CAS No:
771579-27-2
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Formula:
C8H12N2O
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Chemical Name:
2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
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Synonyms:
2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI);3-(AMinoMethyl)-4,6-diMethyl-1,2-dihydropyridine-2-one;2(1H)-Pyridinone,3-(aMinoMethyl)-4,6-diMethyl-,hydrochloride(1:1);2(1H)-Pyridinone,3-(aMinoMethyl)-4,6-diMethyl-;3-(AMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one;3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-BUTYL-2-CHLOROISONICOTINAMIDE
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CAS No:
2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI) Basic Attributes
152.19368
152.094955
DTXSID90427681
2933399090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI) Use and Manufacturing
Palladium on carbon (10percent) (324mg) and platinum oxide (21.8mg) were added to a mixture of 4, 6-dimethyl-2-oxo-1, 2-dihydro-pyridine-3-carbonitrile (3g, 20.3 mmol), sodium acetate (3.1g, 37.5 mmol) and acetic acid (100 mL), and the whole mixture was stirred under an atmosphere of H3-(aminomethyl)-4, 6-dimethylpyridin-2(lH)-one. To a solution of 4, 6-dimethyl-2-oxo-l, 2- dihydropyridine-3-carbonitrile (500 mg, 3.4 mmol) in tetrahydrofuran (20 mL) was added lithium aluminum hydride (258 mg, 6.8 mmol) at 0°C. The mixture was stirred at 20°C for 2 hours. Then water (1 mL) was added and the product 3-(aminomethyl)-4, 6-dimethylpyridin- 2(lH)-one was obtained as a white solid (300 mg, 60percent). 1H NMR (300 MHz, /-DMSO): δ 11.84 (s, 1H), 7.95 (s, 2H), 5.97 (s, 1H), 3.77 (s, 2H), 2.19 (s, 3H), 2.15 (s, 3H).To a solution of 4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-carbonitrile (500 mg, 3.4 mmol) in tetrahydrofuran (20 mL) was added lithium aluminum hydride (258 mg, 6.8 mmol) at 0° C. The mixture was stirred at 20° C. for 2 hours. Then water (1 mL) was added and the product 3-(aminomethyl)-4, 6-dimethylpyridin-2(1H)-one was obtained as a white solid (300 mg, 60percent). Compound g 4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-carbonitrile (3 g, 1.0 eq) and an appropriate amount of Raney nickelAdd to methanol (50 ml), add saturated aqueous ammonia (25 ml), react under hydrogen for 24 hours, filter, and concentrate.Crystallization gave 2.0 g of product h.
Computed Properties
Molecular Weight:152.19
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:152.094963011
Monoisotopic Mass:152.094963011
Topological Polar Surface Area:55.1
Heavy Atom Count:11
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
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