Cas no 2062-21-7 (4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione)

4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione is a fluorinated organic compound featuring a chloro-difluoromethyl group and a phenyl-substituted diketone moiety. Its unique structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of fluorinated heterocycles and pharmaceuticals. The presence of both chlorine and fluorine atoms enhances its reactivity, enabling selective transformations under mild conditions. This compound is particularly useful in nucleophilic substitution and cyclization reactions, offering versatility in constructing complex molecular frameworks. Its stability and well-defined reactivity profile make it a reliable reagent for researchers working on fluorinated analogs of bioactive molecules. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione structure
2062-21-7 structure
Product Name:4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione
CAS No:2062-21-7
MF:C10H7ClF2O2
MW:232.611189126968
CID:1394999
PubChem ID:13159612
Update Time:2025-05-20

4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione, 4-chloro-4,4-difluoro-1-phenyl-
    • CAA06221
    • SCHEMBL8641213
    • 2062-21-7
    • AKOS030255319
    • GS-1963
    • 4-chloro-4,4-difluoro-1-phenylbutane-1,3-dione
    • 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione
    • Inchi: 1S/C10H7ClF2O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
    • InChI Key: JZOPJJRQTLGMIN-UHFFFAOYSA-N
    • SMILES: ClC(C(CC(C1C=CC=CC=1)=O)=O)(F)F

Computed Properties

  • Exact Mass: 232.01031
  • Monoisotopic Mass: 232.0102635g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 260
  • 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: 2.8
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione Pricemore >>

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Additional information on 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione

4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione: A Comprehensive Overview

The compound 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione, also known by its CAS number CAS No 2062-21-7, is a highly specialized organic compound with significant applications in various fields of chemistry. This compound is characterized by its unique structure, which includes a phenyl group attached to a butane dione backbone, further substituted with chlorine and fluorine atoms. The presence of these halogens imparts distinct chemical properties, making it a valuable molecule in both academic research and industrial applications.

Recent studies have highlighted the importance of 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione in the synthesis of advanced materials. Researchers have demonstrated that this compound can serve as a versatile building block for constructing complex organic frameworks. Its ability to undergo various types of reactions, including nucleophilic substitutions and electrophilic additions, has made it a cornerstone in modern organic synthesis.

In terms of its physical properties, CAS No 2062-21-7 exhibits a high degree of thermal stability and solubility in common organic solvents. These characteristics make it suitable for use in high-throughput screening processes and large-scale chemical manufacturing. Moreover, the compound's electronic properties have been extensively studied, revealing its potential as a component in electronic materials and optoelectronic devices.

The synthesis of 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione has been optimized through several innovative methods. Recent advancements include the use of microwave-assisted synthesis and continuous-flow reactors, which have significantly improved reaction yields and reduced production times. These techniques not only enhance the efficiency of the synthesis process but also align with the growing demand for sustainable chemical manufacturing practices.

From an application standpoint, this compound has found extensive use in the pharmaceutical industry. Its role as an intermediate in drug development has been well-documented, particularly in the synthesis of bioactive molecules with potential therapeutic applications. Additionally, it has been employed in the creation of agrochemicals and specialty chemicals, further underscoring its versatility.

The latest research on CAS No 2062-21-7 has focused on its potential as a precursor for advanced materials such as graphene derivatives and carbon nanotubes. By incorporating this compound into these materials, scientists have achieved enhanced mechanical and electrical properties. Such findings open new avenues for its application in next-generation electronics and energy storage systems.

In conclusion, 4-Chloro-4,4-difluoro-1-phenylbutane-1,3-dione, or CAS No 2062-21_7, stands as a testament to the ingenuity of modern chemistry. Its unique structure and versatile properties continue to drive innovation across multiple disciplines. As research progresses, it is anticipated that this compound will play an even more pivotal role in shaping the future of chemical science.

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