4-Oxo-3-piperidinecarbonitrile

Basic Information

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CAS Number

19166-75-7

Molecular Formula

C6H8N2O

Molecular Weight

113.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

300.8±37.0°C at 760 mmHg

Flash Point

135.7 °C

Refractive Index

1.491

SMILES

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C1CNCC(C1=O)C#N

InChI

InChI=1S/C6H8N2O/c7-3-5-4-8-2-1-6(5)9/h5,8H,1-2,4H2

InChIKey

OSRLEVNOSVHSQN-UHFFFAOYSA-N

LogP

0.18489999999999984

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

167

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AKOS006273993
4-oxopiperidine-3-carbonitrile
AB1358
4-oxo-piperidine-3-carbonitrile
AMY33722
FS-6396
PB21729
EN300-1654861
DTXSID50396344
19166-75-7
3-CYANO-4-PIPERIDONE
A813511
SCHEMBL9425872
CS-0053685
MFCD00955834
SY097064
Q-102986
FT-0600454
3-PIPERIDINECARBONITRILE, 4-OXO-
3-Piperidinecarbonitrile,4-oxo-
3-Cyano-4-Piperidione
3-Cyano-4-piperidone
4-oxo-3-Piperidinecarbonitrile
4-Oxopiperidine-3-carbonitrile
3-Cyano-4-piperidon
4-OXO-NIPECOTONITRILE
4-Oxo-piperidin-3-carbonitril
4-Oxonipecotonitrile
3-Cyano-4-Piperidonehcl
3-Piperidinecarbonitrile, 4-oxo-

MDL Number

MFCD00955834

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-Oxo-3-piperidinecarbonitrile (CAS: 19166-75-7)?

4-Oxo-3-piperidinecarbonitrile is a white crystalline solid with a molecular weight of approximately 175.15 g/mol. It is only slightly soluble in water but soluble in organic solvents such as dichloromethane and acetone. This compound is highly reactive and can undergo various reactions such as nucleophilic substitution and condensation.

How is 4-Oxo-3-piperidinecarbonitrile (CAS: 19166-75-7) typically synthesized?

4-Oxo-3-piperidinecarbonitrile can be synthesized by the condensation of 3-piperidinamidocarbonyl chloride with ethylene oxide followed by hydrolysis of the resulting amide. Other methods include the reaction of piperidine with acrylonitrile in the presence of a suitable catalyst such as a base.

What industries use 4-Oxo-3-piperidinecarbonitrile (CAS: 19166-75-7)?

4-Oxo-3-piperidinecarbonitrile is mainly used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the polymer industry as a monomer for the production of certain polymers. Additionally, it can be used in the preparation of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 4-Oxo-3-piperidinecarbonitrile (CAS: 19166-75-7)?

When handling 4-Oxo-3-piperidinecarbonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and chemical-resistant clothing. Ensure the work is conducted in a well-ventilated area or a fume hood. Dispose of any spills or waste materials according to local regulations and refer to the Safety Data Sheet (SDS) for detailed information.