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N-Benzyl-4-piperidone

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N-Benzyl-4-piperidone Basic information

Product Name:
N-Benzyl-4-piperidone
Synonyms:
  • NSC 77933
  • 1-BENZYL-4-PIPERIDINONE FOR SYNTHESIS
  • [(4-Oxopiperidin-1-yl)methyl]benzene, 1-Benzyl-4-oxopiperidine
  • N- benzylpiperidineketone
  • 1-Benzyl-4-piperidone, 99%, 99%
  • N - benzyl - 4 - piperidine ketone (3612-20-2)
  • N-BENZYL-4-PIPERIDONE
  • 1-Benzylpiperidone
CAS:
3612-20-2
MF:
C12H15NO
MW:
189.25
EINECS:
222-782-4
Product Categories:
  • Piperidines, Piperidones, Piperazines
  • pharmacetical
  • Phenyls & Phenyl-Het
  • Piperidine
  • Heterocyclic Compounds
  • Phenyls & Phenyl-Het
  • Amines
  • blocks
  • PHARMACEUTICAL INTERMEDIATES
  • Amines and Anilines
  • Carbonyl Compounds
  • Miscellaneous
  • Aromatics
  • ketone
  • Heterocycles
  • Isotope Labelled Compounds
  • 3612-20-2
  • john's
Mol File:
3612-20-2.mol
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N-Benzyl-4-piperidone Chemical Properties

Boiling point:
134 °C7 mm Hg(lit.)
Density 
1.021 g/mL at 25 °C(lit.)
vapor pressure 
0.079-0.15Pa at 20-25℃
refractive index 
n20/D 1.541(lit.)
Flash point:
>230 °F
storage temp. 
2-8°C
solubility 
12g/l
form 
Oily Liquid
pka
7.07±0.20(Predicted)
Specific Gravity
1.021
color 
Clear colorless to straw
Water Solubility 
12 g/L (20 ºC)
BRN 
128556
LogP
2.1 at 20℃ and pH9
CAS DataBase Reference
3612-20-2(CAS DataBase Reference)
NIST Chemistry Reference
4-Piperidinone, 1-(phenylmethyl)-(3612-20-2)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-43-22-20/21/22
Safety Statements 
26-36-37/39
WGK Germany 
3
Hazard Note 
Irritant
HS Code 
29333999

MSDS

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N-Benzyl-4-piperidone Usage And Synthesis

Chemical Properties

Clear colorless to straw coloured oily liquid

Uses

A substituted piperidine as pesticide

Uses

1-Benzyl-4-piperidone is a pharmaceutical intermediate, it is used in penfluridol synthesis of bulk drugs.

Reactions

As an important organic compound, N-Benzyl-4-piperidone could be used to synthesize many organic compounds. There are four ways to synthesize 1-benzylpiperidine-4-carbaldehyde using it as the raw material. The first method involves the Wittig reaction of (methoxymethyl) triphenylphosphonium chloride with N-benzyl-4-piperidone, followed by hydrolysis of the resulting enol ether. In another method, trimethylsilyl diazomethane is condensed with N-benzyl-4-piperidone, followed by hydrolysis to obtain the final product. In a third route, N-benzyl-4-piperidone is treated with trimethyloxosulfonium iodide to produce the corresponding epoxide. The epoxide is then rearranged in the presence of magnesium bromide etherate, resulting in 1-benzylpiperidine-4-carbaldehyde with high yields. In 2007, a patent described the Darzens condensation of N-benzyl-4-piperidone with ethyl chloroacetate, followed by decarboxylation[1].

Purification Methods

If the physical properties show contamination, then dissolve it in the minimum volume of H2O, made strongly alkaline with aqueous KOH, extract it with toluene several times, dry the extract with K2CO3, filter, evaporate and distil the residue at high vacuum using a bath temperature of 160-190o, and redistil it. [Brookes & Walker J Chem Soc 3173 1957, Bolyard J Am Chem Soc 52 1030 1930.] The hydrochloride has m 159-161o (from Me2CO/Et2O), and the picrate has m 174-182o (from Me2CO/Et2O). [Grob & Brenneisen Helv Chim Acta 41 1184 1958, Beilstein 21/6 V 424.]

References

[1] Chavakula R, et al. Industrially Viable Preparation ofN-Benzyl-4-formylpiperidine, a Key Intermediate of Donepezil. Organic Preparations and Procedures International, 2013; 45: 168-170.

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