ChemicalBook > CAS DataBase List > 1-N-CBZ-3-PIPERIDONE

1-N-CBZ-3-PIPERIDONE

Product Name
1-N-CBZ-3-PIPERIDONE
CAS No.
61995-20-8
Chemical Name
1-N-CBZ-3-PIPERIDONE
Synonyms
BENZYL 3-OXOPIPERIDINE-1-CARBOXYLATE;1-CBZ-3-PIPERIDONE;N-Cbz-3-Piperidone;1-CBZ-3-PIPERIDINONE;1-N-CBZ-3-PIPERIDONE;1-Benzyloxycarbonyl-3-piperidone, 97+%;3-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER;1-Piperidinecarboxylic acid, 3-oxo-, phenylmethyl ester
CBNumber
CB5346172
Molecular Formula
C13H15NO3
Formula Weight
233.26
MOL File
61995-20-8.mol
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1-N-CBZ-3-PIPERIDONE Property

Boiling point:
384.1±42.0 °C(Predicted)
Density 
1.212
storage temp. 
2-8°C
pka
-1.76±0.20(Predicted)
form 
Liquid
Appearance
Light yellow to yellow Liquid
Water Solubility 
Slightly soluble in water.
InChI
InChI=1S/C13H15NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKey
ALXLNFWWLXCXSK-UHFFFAOYSA-N
SMILES
N1(C(OCC2=CC=CC=C2)=O)CCCC(=O)C1
CAS DataBase Reference
61995-20-8(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-36/37/38
Safety Statements 
23-26-37-60
HS Code 
29333990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
B194173
Product name
Benzyl3-Oxopiperidine-1-carboxylate
Packaging
1g
Price
$75
Updated
2021/12/16
SynQuest Laboratories
Product number
4H56-1-LB
Product name
1-Cbz-3-piperidone
Packaging
5G
Price
$75
Updated
2021/12/16
Matrix Scientific
Product number
070829
Product name
1-N-Cbz-3-piperidone
Purity
96%
Packaging
5g
Price
$29
Updated
2021/12/16
SynQuest Laboratories
Product number
4H56-1-LB
Product name
1-Cbz-3-piperidone
Packaging
1g
Price
$45
Updated
2021/12/16
Chem-Impex
Product number
17200
Product name
1-Z-3-piperidone,96%
Purity
96%
Packaging
250MG
Price
$46.37
Updated
2021/12/16
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1-N-CBZ-3-PIPERIDONE Chemical Properties,Usage,Production

Uses

1-Benzyloxycarbonyl-3-piperidone finds its application in the synthesis and pharmacological evaluation of some 6-substituted 7-methyl-1,4-dioxa-7-azaspiro[4.5]decanes as potential dopamine agonists.

Synthesis

95798-22-4

61995-20-8

General procedure for the synthesis of 1-N-Cbz-3-piperidone from N-Benzyloxycarbonyl-3-hydroxypiperidine: N-Benzyloxycarbonyl-3-hydroxypiperidine (16.50 g, 70 mmol) was dissolved in dichloromethane (90 mL), stirred and cooled to 0 °C. Subsequently, N,N-diisopropylethylamine (DIPEA, 45.30 g, 0.35 mol) was added to the reaction system. A solution of dimethyl sulfoxide (DMSO, 100 mL) of pyridine trioxide (25.70 g, 0.16 mol) was slowly added dropwise at 0 °C. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0°C for 2 hours. After completion of the reaction, the mixture was poured into 4 M hydrochloric acid and extracted with dichloromethane (100 mL x 3). The organic layers were combined, washed with saturated brine, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography with the eluent ethyl acetate/petroleum ether (1/100 to 1/6, v/v) to afford 1-N-Cbz-3-piperidone (14.90 g, 90% yield) as an off-white solid. The structure of the product was confirmed by LC-MS, LC-MS: [M + H]+ = 234.

References

[1] Journal of Heterocyclic Chemistry, 1995, vol. 32, # 6, p. 1843 - 1845
[2] Patent: WO2014/32, 2014, A1. Location in patent: Page/Page column 45
[3] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 6, p. 811 - 814
[4] Patent: EP1757582, 2007, A1. Location in patent: Page/Page column 35-36
[5] Patent: WO2014/68527, 2014, A1. Location in patent: Page/Page column 75; 156; 157

1-N-CBZ-3-PIPERIDONE Preparation Products And Raw materials

Raw materials

Preparation Products

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1-N-CBZ-3-PIPERIDONE Suppliers

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View Lastest Price from 1-N-CBZ-3-PIPERIDONE manufacturers

Career Henan Chemical Co
Product
1-N-CBZ-3-PIPERIDONE 61995-20-8
Price
US $1.00/KG
Min. Order
1KG
Purity
96%
Supply Ability
500kg
Release date
2018-08-20

61995-20-8, 1-N-CBZ-3-PIPERIDONERelated Search:

3-Piperidinone Benzyl formate 1-Cbz-4-Piperidone 1-N-CBZ-3-PIPERIDONE

  • 1-N-CBZ-3-PIPERIDONE
  • 1-CBZ-3-PIPERIDINONE
  • 1-CBZ-3-PIPERIDONE
  • BENZYL 3-OXOPIPERIDINE-1-CARBOXYLATE
  • 3-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
  • N-Cbz-3-Piperidone
  • 1-Benzyloxycarbonyl-3-piperidone, 97+%
  • 1-Piperidinecarboxylic acid, 3-oxo-, phenylmethyl ester
  • 61995-20-8
  • 61955-20-8
  • pharmacetical
  • Piperidine