1-(4-Pyridinyl)-4-piperidinone

Basic Information

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CAS Number

126832-81-3

Molecular Formula

C10H12N2O

Molecular Weight

176.22 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

340.8°C at 760 mmHg

Density

1.164

Flash Point

159.908 °C

SMILES

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C1CN(CCC1=O)C2=CC=NC=C2

InChI

InChI=1S/C10H12N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6H,3-4,7-8H2

InChIKey

MAXMUBIIZUKOJF-UHFFFAOYSA-N

LogP

1.2509000000000001

Topological Polar Surface Area

33.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

177

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MAXMUBIIZUKOJF-UHFFFAOYSA-N
4-Piperidinone, 1-(4-pyridinyl)-
1-(4-pyridyl)-4-piperidinone
EN300-39265
1-pyridin-4-ylpiperidin-4-one, AldrichCPR
1-(4-pyridyl)-4-oxopiperidine
J-005439
Z317257844
1-(4-pyridyl)piperidin-4-one;1-Pyridin-4-ylpiperidin-4-one
AKOS000195112
4-Piperidinone,1-(4-pyridinyl)-
SCHEMBL784848
DTXSID90462597
MFCD09030756
SB42973
2,3,5,6-tetrahydro-[1,4']bipyridinyl-4-one
1-(4-pyridinyl)-4-Piperidinone
ETHYL-4-ETHYL-5-PYRIMIDINECARBOXYLATE
A805617
1-(4-pyridyl)-4-piperidone
DS-14414
126832-81-3
1-pyridin-4-ylpiperidin-4-one
BB 0261122
AM20061660
1-(pyridin-4-yl)piperidin-4-one
1-Pyridin-4-ylpiperidin-4-one
1-(4-PYRIDINYL)-4-PIPERIDINONE
1-(pyridin-4-yl)-4-oxopiperidine
1-(pyridin-4-yl)-4-piperidinone
1-(pyridin-4-yl)-4-piperidone

MDL Number

MFCD09030756

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(4-Pyridinyl)-4-piperidinone (CAS: 126832-81-3)?

1-(4-Pyridinyl)-4-piperidinone is a crystalline solid with a molecular weight of approximately 234.24 g/mol. It has a solubility of 10.3 mg/mL in water. Chemically, it is a weak base and exhibits limited reactivity, primarily undergoing hydrolysis and condensation reactions. This compound is stable under normal storage conditions but should be protected from moisture to prevent hydrolysis.

How is 1-(4-Pyridinyl)-4-piperidinone (CAS: 126832-81-3) typically synthesized?

1-(4-Pyridinyl)-4-piperidinone is synthesized via the condensation of 4-piperidone and 4-pyridylamine. Commonly, this is achieved by reacting piperidone with 4-pyridylamine in the presence of a base such as triethylamine. The reaction is typically carried out in an aprotic solvent like dimethylformamide (DMF) at room temperature. The yield is around 85%, with good selectivity towards the desired product.

What industries use 1-(4-Pyridinyl)-4-piperidinone (CAS: 126832-81-3)?

1-(4-Pyridinyl)-4-piperidinone finds applications in various industries. It is used as a precursor in pharmaceuticals for synthesizing drugs, in the polymer industry for developing new materials, and in sensors due to its unique chemical properties. Additionally, it is used in the semiconductor industry for its ability to act as a photoresist material.

What precautions should be taken when handling 1-(4-Pyridinyl)-4-piperidinone (CAS: 126832-81-3)?

When handling 1-(4-Pyridinyl)-4-piperidinone, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a dry, sealed container to prevent hydrolysis. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.