3-Cyclopentyl-3-oxopropanenitrile

Basic Information

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CAS Number

95882-33-0

Molecular Formula

C8H11NO

Molecular Weight

137.18 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 Physical Properties

Boiling Point

229.5±13.0 ºC (760 Torr),

Density

1.056±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

92.6±19.8 ºC,

SMILES

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C1CCC(C1)C(=O)CC#N

InChI

InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2

InChIKey

FOCJXECLIBAZSA-UHFFFAOYSA-N

LogP

1.65938

Complexity

171

Synonyms & References

English

3-Cyclopentyl-3-oxopropanenitrile
3-Cyclopentyl-3-oxo-propionitrile
Cyclopentanepropanenitrile,b-oxo-
3-Cyclopentyl-3-oxopropionitrile
β-Oxocyclopentanepropanenitrile (ACI)
3-cyclopentyl-3-oxopropanenitrile
SY042272
CHEMBL4593178
AKOS009236565
3-CYCLOPENTYL-3-OXO-PROPIONITRILE
FOCJXECLIBAZSA-UHFFFAOYSA-N
3-cyclopentyl-3-oxo-propanenitrile
SCHEMBL573499
EN300-129015
DTXSID50544560
DB-080356
3-cyclopentyl-3-oxopropionitrile
95882-33-0
CS-0053864
WS-01519
MFCD04114391
PB32362

MDL Number

MFCD04114391

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-Cyclopentyl-3-oxopropanenitrile (CAS: 95882-33-0)?

The compound 3-Cyclopentyl-3-oxopropanenitrile has a crystalline form and a molecular weight of approximately 158.23 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive and can undergo nucleophilic substitution and addition reactions. Its melting point is around 50-52°C and boiling point is approximately 170-175°C. It is slightly hydrophobic and not acidic or basic in nature.

How is 3-Cyclopentyl-3-oxopropanenitrile (CAS: 95882-33-0) typically synthesized?

3-Cyclopentyl-3-oxopropanenitrile is typically synthesized via a multi-step process starting from cyclopentylamine. The key steps involve the introduction of an isocyanate group followed by nitrile formation using various reagents. Commonly, this involves the reaction of cyclopentylamine with phosgene to form the isocyanate intermediate, followed by nucleophilic addition with a suitable nitrile donor to produce the final product. The reaction is conducted in anhydrous conditions to prevent hydrolysis and requires careful control of pH and temperature to ensure high selectivity and yield.

What industries use 3-Cyclopentyl-3-oxopropanenitrile (CAS: 95882-33-0)?

3-Cyclopentyl-3-oxopropanenitrile is primarily used in the pharmaceutical industry as a precursor for drug synthesis. It is also utilized in the polymer industry for the development of special polymers with unique properties. Additionally, it has applications in sensors for chemical detection and in the synthesis of semiconducting materials due to its stable and predictable chemical behavior.

What precautions should be taken when handling 3-Cyclopentyl-3-oxopropanenitrile (CAS: 95882-33-0)?

When handling 3-Cyclopentyl-3-oxopropanenitrile (CAS: 95882-33-0), it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Handling should be done in a well-ventilated area or under a fume hood to minimize exposure. In case of spill, avoid direct contact and use appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.