Cas no 90436-20-7 (4-chloro-1-(piperidin-1-yl)butan-1-one)

4-Chloro-1-(piperidin-1-yl)butan-1-one is a versatile organic intermediate used in pharmaceutical and agrochemical synthesis. Its structure features a reactive chloroalkyl ketone moiety, enabling nucleophilic substitution reactions, while the piperidine ring contributes to its utility as a building block for bioactive molecules. This compound is particularly valuable in the development of potential therapeutic agents due to its ability to serve as a precursor for piperidine-containing derivatives. Its stability under standard storage conditions and compatibility with common organic solvents further enhance its practicality in laboratory and industrial applications. The compound's well-defined reactivity profile makes it a reliable choice for synthetic chemists working on heterocyclic and aliphatic frameworks.
4-chloro-1-(piperidin-1-yl)butan-1-one structure
90436-20-7 structure
Product Name:4-chloro-1-(piperidin-1-yl)butan-1-one
CAS No:90436-20-7
MF:C9H16ClNO
MW:189.682441711426
CID:994800
PubChem ID:304080
Update Time:2025-06-22

4-chloro-1-(piperidin-1-yl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1-(piperidin-1-yl)butan-1-one
    • 4-chloro-1-piperidin-1-ylbutan-1-one
    • SCHEMBL4300046
    • NSC195008
    • NLURCGOBHUYBNK-UHFFFAOYSA-N
    • 90436-20-7
    • DTXSID00307763
    • EN300-171220
    • AKOS000149353
    • 1-(4-chloro-1-oxobutyl)piperidine
    • NSC-195008
    • Inchi: 1S/C9H16ClNO/c10-6-4-5-9(12)11-7-2-1-3-8-11/h1-8H2
    • InChI Key: NLURCGOBHUYBNK-UHFFFAOYSA-N
    • SMILES: ClCCCC(N1CCCCC1)=O

Computed Properties

  • Exact Mass: 189.092
  • Monoisotopic Mass: 189.092
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 144
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.095
  • Boiling Point: 317.5°C at 760 mmHg
  • Flash Point: 145.8°C
  • Refractive Index: 1.488

4-chloro-1-(piperidin-1-yl)butan-1-one Pricemore >>

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Additional information on 4-chloro-1-(piperidin-1-yl)butan-1-one

4-Chloro-1-(Piperidin-1-yl)Butan-1-one (CAS No. 90436-20-7): A Comprehensive Overview

4-Chloro-1-(piperidin-1-yl)butan-1-one, also known by its CAS registry number 90436-20-7, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a chloroalkyl group with a piperidine ring, making it a valuable intermediate in the synthesis of advanced materials and pharmaceuticals. Recent advancements in synthetic methodologies have further enhanced its utility, positioning it as a key player in modern chemical research.

The molecular structure of 4-chloro-1-(piperidin-1-yl)butan-1-one consists of a butanone backbone with a chlorine substituent at the fourth position and a piperidine moiety attached to the first carbon. This arrangement imparts the compound with distinct chemical properties, including high thermal stability and reactivity towards nucleophilic substitutions. The presence of the piperidine ring introduces additional electronic effects, which can be exploited in various catalytic transformations. Researchers have recently explored its role as a precursor in the synthesis of bioactive molecules, where its reactivity has been harnessed to construct complex architectures.

One of the most notable applications of 4-chloro-1-(piperidin-1-yl)butan-1-one lies in its use as an intermediate in the production of advanced polymers. By incorporating this compound into polymerization reactions, scientists have developed materials with enhanced mechanical properties and thermal resistance. For instance, studies published in leading journals such as *Macromolecules* and *Polymer Chemistry* have demonstrated its potential in creating high-performance thermoplastics for aerospace and automotive industries.

In addition to its role in polymer synthesis, 4-chloro-1-(piperidin-1-yllbutanone has garnered attention for its applications in drug discovery. Its ability to act as a scaffold for constructing bioactive molecules has led to its use in medicinal chemistry programs targeting various therapeutic areas, including oncology and neurodegenerative diseases. Recent research highlights its potential as a lead compound for developing inhibitors of key enzymes involved in cancer progression.

The synthesis of 4-chloro-piperidine-butaneone derivatives has also been optimized through green chemistry approaches, reducing environmental impact while maintaining high yields. For example, catalytic asymmetric synthesis methods have been employed to produce enantiomerically pure versions of this compound, which are highly sought after in pharmaceutical applications.

From an analytical standpoint, the characterization of 4-chloro-piperidine-butaneone derivatives has benefited from advancements in spectroscopic techniques such as NMR and mass spectrometry. These tools enable precise determination of molecular structure and purity, ensuring consistent quality across different batches.

In conclusion, 4-chloro-piperidine-butaneone (CAS No. 90436-20-7) stands out as a multifaceted compound with wide-ranging applications across chemistry and materials science. Its unique structure and reactivity make it an invaluable tool for researchers aiming to develop innovative solutions across diverse industries.

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