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1-Boc-3-piperidone

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CAS:98977-36-7
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Related articles

1-Boc-3-piperidone Basic information
Product Name:1-Boc-3-piperidone
Synonyms:T-BUTYL-3-PIPERIDONE-1-CARBOXYLATE;TERT-BUTYL 3-OXOPIPERIDINE-1-CARBOXYLATE;N-Boc-3-piperidone;N-BOC-3-PIPERIDINONE;3-OXOPIPERIDINE, N-BOC PROTECTED;3-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-PIPERIDINECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER;1-N-BOC-3-PIPERIDONE
CAS:98977-36-7
MF:C10H17NO3
MW:199.25
EINECS:629-575-1
Product Categories:Pyrans, Piperidines & Piperazines;Building Blocks;Heterocyclic Building Blocks;Piperidones;Piperidine;Piperidines;Pharmaceutical Intermediates;pharmacetical;Pyrans, Piperidines &Piperazines;Acids and Derivatives;Carbonyl Compounds;98977-36-7
Mol File:98977-36-7.mol
1-Boc-3-piperidone Structure
1-Boc-3-piperidone Chemical Properties
Melting point 35-40 °C (lit.)
Boiling point 289.8±33.0 °C(Predicted)
density 1.099±0.06 g/cm3(Predicted)
Fp >230 °F
storage temp. 2-8°C
pka-1.71±0.20(Predicted)
form Liquid
color Clear colorless
Water Solubility It is insoluble in water.
BRN 5936353
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
InChIKeyRIFXIGDBUBXKEI-UHFFFAOYSA-N
SMILESN1(C(OC(C)(C)C)=O)CCCC(=O)C1
CAS DataBase Reference98977-36-7(CAS DataBase Reference)
Safety Information
Safety Statements 24/25
WGK Germany 3
HazardClass KEEP COLD
HS Code 29339900
Storage Class13 - Non Combustible Solids
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
1-Boc-3-piperidone Usage And Synthesis
Chemical PropertiesWhite to yellow low melting solid
Uses1-Boc-3-piperidone, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
SynthesisWith 179g compound 3(1-BOC-3-piperidines alcohol) drop in the 2L reaction flask, drop into pimelinketone 1300g, aluminum isopropylate 88g, methylene dichloride 400ml is warming up to 80 ℃, insulation reaction 8h, reaction finishes to be cooled to room temperature, adds 10% sodium hydroxide 200ml, stirring at normal temperature 30min, filter, the filtrate normal pressure reclaims methylene dichloride, reclaim under reduced pressure pimelinketone again, reclaim finish after, add the 300ml dichloromethane extraction three times, it is dry concentrated to merge oil reservoir, gets 1-BOC-3-piperidone crude product.
Refining: with 1-BOC-3-piperidone crude product is that 60pa, temperature are to distill under 104 ~ 105 ℃ the condition at pressure, gets 1-BOC-3-piperidone elaboration 163g, 92.9%.
References[1] Patent: CN107573278, 2018, A. Location in patent: Paragraph 0055; 0059-0061; 0076-0077
[2] Patent: US2011/105520, 2011, A1. Location in patent: Page/Page column 36
[3] Patent: WO2009/82134, 2009, A2. Location in patent: Page/Page column 37
[4] Patent: WO2013/13308, 2013, A1. Location in patent: Paragraph 00250-00252
[5] Patent: US2003/220341, 2003, A1. Location in patent: Page/Page column 15-16
Tag:1-Boc-3-piperidone(98977-36-7) Related Product Information
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