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1-Boc-2-methyl-piperidin-4-one

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1-Boc-2-methyl-piperidin-4-one manufacturers

1-Boc-2-methyl-piperidin-4-one Basic information
Product Name:1-Boc-2-methyl-piperidin-4-one
Synonyms:2-METHYL-4-OXOPIPERIDINE, N-BOC PROTECTED;1-N-BOC-2-METHYL-PIPERIDIN-4-ONE;1-TERT-BUTOXYCARBONYL-2-METHYL-4-PIPERIDONE;1-Boc-2-methyl-4-piperidinone;1-Boc-2-Methyl-Piperidinone;2-Methyl-4-oxopiperidine, N-BOC protected 97%;N-Boc-2-methyl-piperidone;1-(tert-Butoxycarbonyl)-2-methylpiperidin-4-one
CAS:190906-92-4
MF:C11H19NO3
MW:213.27
EINECS:
Product Categories:Pyrans, Piperidines & Piperazines;pharmacetical;Pyrans, Piperidines &Piperazines;Piperidine;Piperidines
Mol File:190906-92-4.mol
1-Boc-2-methyl-piperidin-4-one Structure
1-Boc-2-methyl-piperidin-4-one Chemical Properties
Boiling point 298.8±33.0 °C(Predicted)
density 1.060±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka-1.52±0.40(Predicted)
form solid
color White to light yellow
InChIInChI=1S/C11H19NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyHQMYWQCBINPHBB-UHFFFAOYSA-N
SMILESN1(C(OC(C)(C)C)=O)CCC(=O)CC1C
CAS DataBase Reference190906-92-4(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
Hazard Note Irritant
HS Code 2933399990
MSDS Information
1-Boc-2-methyl-piperidin-4-one Usage And Synthesis
Uses1-Boc-2-methyl-piperidin-4-one s a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
Synthesis
1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylic acid, 7-Methyl-, 1,1-diMethylethyl ester

126503-08-0

1-BOC-2-METHYL-PIPERIDIN-4-ONE

190906-92-4

1-tert-butoxycarbonyl-2-methyl-4-piperidone vinyl acetal (6.00 g) was used as starting material and dissolved in acetone (150 mL). To this solution, p-toluenesulfonic acid monohydrate (4.40 g) was slowly added under ice bath cooling and stirring conditions. After addition, the reaction mixture was gradually warmed to room temperature with continuous stirring overnight. Upon completion of the reaction, the reaction mixture was diluted with ethyl acetate and the organic layer was subsequently washed with saturated sodium bicarbonate solution and saturated aqueous sodium chloride solution sequentially. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent to afford 1-tert-butoxycarbonyl-2-methyl-piperidone (2.40 g, 48% yield) as a yellow oil. Its 1H NMR (500 MHz, CDCl3) data were as follows: δ 1.18 (3H, d, J=7.0 Hz), 1.49 (9H, s), 2.20-2.30 (1H, m), 2.30-2.40 (1H, m), 2.45-2.55 (1H, m), 2.65-2.70 (1H, m), 3.25-3.35 ( 1H, m), 3.90-4.05 (1H, m), 4.20-4.30 (1H, m).

References[1] Patent: EP1375482, 2004, A1. Location in patent: Page 153
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