ChemicalBook--->CAS DataBase List--->1173081-96-3

1173081-96-3

1173081-96-3 Structure

1173081-96-3 Structure
IdentificationBack Directory
[Name]

3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
[CAS]

1173081-96-3
[Synonyms]

CN471
3-(AMinoMethyl)-4,6-diMethyl-1h-pyridin-2-one, HCl
3-(aminomethyl)-4,6-dimethylpyridin-2-ol hydrochloride
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochlorid
3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride
3-(AMINOMETHYL)-4,6-DIMETHYL-1H-PYRIDIN-2-ONE HYDROCHLORIDE
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride
2(1H)-Pyridinone, 3-(aMinoMethyl)-4,6-diMethyl-, hydrochloride
3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride (1:1)
(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methanaminium chloride
3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
[Molecular Formula]

C8H13ClN2O
[MDL Number]

MFCD09053337
[MOL File]

1173081-96-3.mol
[Molecular Weight]

188.655
Chemical PropertiesBack Directory
[Melting point ]

312-315℃
[storage temp. ]

Inert atmosphere,Room Temperature
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
[InChIKey]

ZMDPNGUJHPRAMG-UHFFFAOYSA-N
[SMILES]

C1(=O)NC(C)=CC(C)=C1CN.[H]Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[Risk Statements ]

36
[Safety Statements ]

26
[HS Code ]

2933399990
Hazard InformationBack Directory
[Description]

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride  is a heterocyclic derivative, mainly used as a pharmaceutical intermediate for the synthesis of drugs. In addition, it can also be used as a raw material for buffers, catalysts or reducing agents.
[Uses]

3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride belongs to heterocyclic derivatives and can be used as pharmaceutical intermediates.
[Synthesis]

3-Cyano-4,6-dimethyl-2-hydroxypyridine

769-28-8

3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride

1173081-96-3

General procedure for the synthesis of 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride from 2-oxo-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile: 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (10.0 g, 67.5 mmol) was dissolved in methanol (1.50 L) and under nitrogen protection was Concentration. Subsequently, concentrated hydrochloric acid (30 mL) and 10% Pd(OH)2 catalyst (19 g) were added to the reaction system under nitrogen atmosphere. The nitrogen was replaced with hydrogen and the reaction mixture was stirred at room temperature and under hydrogen atmosphere for 26 hours. Upon completion of the reaction, the hydrogen was again replaced with nitrogen. The reaction mixture was filtered through diatomaceous earth, the filter cake was washed with methanol, the filtrates were combined and concentrated. The concentrated residue was ground with ethanol and the solid product was collected through a Brinell funnel and dried under vacuum to afford 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride as a white solid (11.5 g, 90% yield).1H NMR (400 MHz, DMSO-d6): δ 11.86 (broad peak, 1H), 5.98 (single peak, 1H), 3.78 (single peak, 1H), 3.78 (single peak, 1H), 3.78 (single peak, 1H), 3.78 (single peak, 1H), 3.78 (single peak, 1H). 1H), 3.78 (multiple peaks, 2H), 2.20 (single peak, 3H), 2.16 (single peak, 3H).

[References]

[1] Patent: US2014/107122, 2014, A1. Location in patent: Paragraph 0154; 0155
[2] Patent: WO2011/140324, 2011, A1. Location in patent: Page/Page column 143
[3] Patent: WO2011/140325, 2011, A1. Location in patent: Page/Page column 141-142
[4] Patent: WO2013/39988, 2013, A1. Location in patent: Page/Page column 50-51
[5] Patent: WO2013/173441, 2013, A2. Location in patent: Page/Page column 43; 44
Spectrum DetailBack Directory
[Spectrum Detail]

3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride(1173081-96-3)1HNMR
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