3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
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3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
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CAS No:
1173081-96-3
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Formula:
C8H13ClN2O
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Chemical Name:
3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
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Synonyms:
3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride;3-(AMINOMETHYL)-4,6-DIMETHYL-1H-PYRIDIN-2-ONE HYDROCHLORIDE;3-(AMinoMethyl)-4,6-diMethyl-1h-pyridin-2-one, HCl;2(1H)-Pyridinone, 3-(aMinoMethyl)-4,6-diMethyl-, hydrochloride;3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride;3-(aminomethyl)-4,6-dimethylpyridin-2-ol hydrochloride;(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methanaminium chloride;3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride
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CAS No:
3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride Basic Attributes
188.65462
188.071640
-0
DTXSID00656384
2933399090
Safety Information
36
26
|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.
3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride Use and Manufacturing
To a solution of 4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-carbonitrile (10.0 g, 67.5 mmol) in MeOH (1.50 L) and conc. HCl (30 mL) was added 10percent Pd(OH)Intermediate 83-(Aminomethyl)-4, 6-dim pyridinone hydrochloridePalladium on carbon (10percent) (3.24 g) was charged into a 2L dry Parr bottle and a small amount of acetic acid was added. Next added 4, 6-dimethyl-2-oxo-l, 2-dihydro- pyridine- 3-carbonitrile (30 g , 202.7 mmol), sodium acetate (30.75 g, 375.0 mmol), platinum oxide (0.218 g), and acetic acid (1 L).. The bottle was capped, placed on Parr apparatus, and shaken under an atmosphere of HPalladium on carbon (10percent) (3.24 g) was charged into a 2 L dry Parr bottle and asmall amount of acetic acid was added. Next added 4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-carbonitrile (30 g, 202.7 mmol), sodium acetate (30.75 g, 375.0 mmol), platinum oxide (0.218 g), and acetic acid (1 L) .. The bottle was capped, placed on Parrapparatus, and shaken under an atmosphere ofH2 (100 psi) for 2 days. The reaction mixture was filtered. The solvent was removed to give a residue, which was treated with150 mL of cone. HCl, and the formed solids were filtered. The yellow filtrate wasconcentrated. To the crude compound was added 30 mL of cone. HCl and 150 mL EtOH, the contents cooled to 0 °C, and stirred at 0 oc for 2h. The formed solids were filtered, washed with cold EtOH, ether, and dried. The product was collected as 36 g. This batchwas combined with other batches prepared on smaller scales and triturated with ether togive 51 g of pure compound. IH NMR (400 MHz, DMSO-d6) 8 ppm 11.85 (br s, l H) 8.13(br s, 3 H) 5.93-6.01 (m, 1 H) 3.72-3.80 (m, 2 H) 2.22 (s, 3 H) 2.16 (s, 3 H).Palladium on carbon (10percent) (3.24 g) was charged into a 2L dry Parr bottle and a small amount of acetic acid was added. Next added 4, 6-dimethyl-2-oxo-1, 2-dihydro-pyridine-3-carbonitrile (30 g, 202.7 mmol), sodium acetate (30.75 g, 375.0 mmol), platinum oxide (0.218 g), and acetic acid (1 L). The bottle was capped, placed on Parr apparatus, and shaken under an atmosphere of HA solution of tert-butyl [(2-methoxy-4, 6-dimethylpyridin-3-yl)methyl]carbamate (Cpd U, 140 g, 0.52 mol) in 6N HCl (500 mL) was heated at 100° C. and stirred for six hours.
Computed Properties
Molecular Weight:188.65
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:188.0716407
Monoisotopic Mass:188.0716407
Topological Polar Surface Area:55.1
Heavy Atom Count:12
Complexity:251
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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