1-Butylpiperidine

Basic Information

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CAS Number

4945-48-6

Molecular Formula

C9H19N

Molecular Weight

141.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

28°C (estimate)

Boiling Point

174.85°C

Refractive Index

1.4467

SMILES

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CCCCN1CCCCC1

InChI

InChI=1S/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3

InChIKey

AXWLKJWVMMAXBD-UHFFFAOYSA-N

LogP

2.2724

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

74.8

Synonyms & References

English

SCHEMBL60452
EINECS 225-588-8
1-Butylpiperidine
1-BUTYL-PIPERIDINE
NSC 86460
Butylpiperidine
NSC-86460
NS00031901
4945-48-6
NSC86460
Piperidine, 1-butyl-
DTXSID10197793
N-Butylpiperidine
AKOS006241948
NCIOpen2_000983

MDL Number

MFCD06252296

FAQ

What are the physical and chemical properties of 1-Butylpiperidine (CAS: 4945-48-6)?

1-Butylpiperidine (CAS: 4945-48-6) is a clear, colorless liquid with a characteristic odor. It has a molecular weight of 148.24 g/mol. The compound is moderately soluble in water but readily soluble in organic solvents such as ethanol and acetone. It is moderately reactive and can undergo ring-opening reactions under basic conditions.

How is 1-Butylpiperidine (CAS: 4945-48-6) typically synthesized?

1-Butylpiperidine (CAS: 4945-48-6) is commonly synthesized via a Wittig reaction involving butyl bromide and piperidine. The reaction is catalyzed by a phosphine such as triphenylphosphine, and yields a high percentage of the desired product. The reaction is typically performed under an inert atmosphere to prevent oxidation.

What industries use 1-Butylpiperidine (CAS: 4945-48-6)?

1-Butylpiperidine (CAS: 4945-48-6) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymer properties. Additionally, it has applications in the sensor and semiconductor industries for specific chemical and electronic properties.

What precautions should be taken when handling 1-Butylpiperidine (CAS: 4945-48-6)?

Handling 1-Butylpiperidine (CAS: 4945-48-6) requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials, and the area should be thoroughly flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.