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1-Boc-3-piperidone

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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
  • Piperidine
  • Piperidines
  • Heterocyclic Building Blocks
  • Piperidones
  • Acids and Derivatives
  • Carbonyl Compounds
  • pharmacetical
  • Pyrans, Piperidines &Piperazines
  • Pharmaceutical Intermediates
  • 98977-36-7
Mol File:
98977-36-7.mol
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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)
Flash point:
>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
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
InChIKey
RIFXIGDBUBXKEI-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)CCCC(=O)C1
CAS DataBase Reference
98977-36-7(CAS DataBase Reference)
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Safety Information

Safety Statements 
24/25
WGK Germany 
3
HazardClass 
KEEP COLD
HS Code 
29339900

MSDS

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1-Boc-3-piperidone Usage And Synthesis

Chemical Properties

White to yellow low melting solid

Uses

1-Boc-3-piperidone, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Synthesis

With 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%.

1-Boc-3-piperidoneSupplier

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