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50717-82-3

3-Piperidinone (also known as Piperidin-3-one) is a valuable intermediate in pharmaceutical and natural product synthesis. The compound can be efficiently synthesized via iridium-catalyzed selective hydrogenation of 3-hydroxypyridinium salts, yielding high chemoselectivity and scalability under optimized conditions involving [Ir(COD)Cl]?, PPh?, and NaHCO? in DCE solvent. This method provides a practical route to access substituted piperidin-3-one derivatives.

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  • 50717-82-3 Structure

  • Basic information

    1. Product Name: 3-Piperidinone
    2. Synonyms: PIPERIDIN-3-ONE;3-Piperidinone;3-Piperidinone(Hclformorbocprotected);3-Piperidinone.Hclsalt;Piperinine-3-one hydrochloride
    3. CAS NO:50717-82-3
    4. Molecular Formula: C5H9NO
    5. Molecular Weight: 99.13
    6. EINECS: N/A
    7. Product Categories: Piperidine
    8. Mol File: 50717-82-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 179.092 °C at 760 mmHg
    3. Flash Point: 87.2 °C
    4. Appearance: /
    5. Density: 1.001 g/cm3
    6. Vapor Pressure: 0.958mmHg at 25°C
    7. Refractive Index: 1.449
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 7.94±0.20(Predicted)
    11. CAS DataBase Reference: 3-Piperidinone(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-Piperidinone(50717-82-3)
    13. EPA Substance Registry System: 3-Piperidinone(50717-82-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 50717-82-3(Hazardous Substances Data)

50717-82-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 50717-82-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,7,1 and 7 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 50717-82:
(7*5)+(6*0)+(5*7)+(4*1)+(3*7)+(2*8)+(1*2)=113
113 % 10 = 3
So 50717-82-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H9NO/c7-5-2-1-3-6-4-5/h6H,1-4H2

50717-82-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Piperidin-3-one

1.2 Other means of identification

Product number -
Other names piperidin-3-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50717-82-3 SDS

50717-82-3Upstream product

50717-82-3Relevant articles and documents

Iron-catalyzed oxidative functionalization of C(sp3)-H bonds under bromide-synergized mild conditions

Yu, Han,Zhao, Qixin,Wei, Zheyu,Wu, Zhikang,Li, Qi,Han, Sheng,Wei, Yongge

supporting information, p. 7840 - 7843 (2019/07/12)

An efficient oxidation and functionalization of C-H bonds with an inorganic-ligand supported iron catalyst and hydrogen peroxide to prepare the corresponding ketones was achieved using the bromide ion as a promoter. Preliminary mechanistic investigations indicated that the bromide ion can bind to FeMo6 to form a supramolecular species (FeMo6·2Br), which can effectively catalyze the reaction.

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