Cas no 109034-27-7 (2-Propyn-1-ol, 3-(2,5-difluorophenyl)-)

2-Propyn-1-ol, 3-(2,5-difluorophenyl)- is a fluorinated propargyl alcohol derivative with a molecular structure combining an alkyne functionality and a difluorophenyl group. This compound is of interest in synthetic organic chemistry due to its dual reactivity, enabling applications in cross-coupling reactions, click chemistry, and the synthesis of fluorinated heterocycles. The presence of fluorine atoms enhances its utility in medicinal chemistry by improving metabolic stability and binding affinity. Its propargylic alcohol moiety also serves as a versatile intermediate for further functionalization. The compound is typically handled under inert conditions due to its reactive alkyne group, ensuring stability during storage and use.
2-Propyn-1-ol, 3-(2,5-difluorophenyl)- structure
109034-27-7 structure
Product Name:2-Propyn-1-ol, 3-(2,5-difluorophenyl)-
CAS No:109034-27-7
MF:C9H6F2O
MW:168.140149593353
MDL:MFCD06803808
CID:3597292
PubChem ID:13813053
Update Time:2025-05-25

2-Propyn-1-ol, 3-(2,5-difluorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propyn-1-ol, 3-(2,5-difluorophenyl)-
    • 3-(2,5-difluorophenyl)prop-2-yn-1-ol(WX191421)
    • 3-(2,5-difluorophenyl)prop-2-yn-1-ol
    • W15248
    • AS-63831
    • MFCD06803808
    • 109034-27-7
    • AKOS004117946
    • MDL: MFCD06803808
    • Inchi: 1S/C9H6F2O/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,5H2
    • InChI Key: DJRIUKQHUBKYCT-UHFFFAOYSA-N
    • SMILES: C(O)C#CC1=CC(F)=CC=C1F

Computed Properties

  • Exact Mass: 168.03867113g/mol
  • Monoisotopic Mass: 168.03867113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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: 1.6
  • Topological Polar Surface Area: 20.2?2

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Additional information on 2-Propyn-1-ol, 3-(2,5-difluorophenyl)-

Comprehensive Overview of 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- (CAS No. 109034-27-7)

The compound 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- (CAS No. 109034-27-7) is a specialized organic molecule that has garnered significant attention in pharmaceutical and material science research. With its unique structural features, including a propargyl alcohol backbone and a difluorophenyl substituent, this compound serves as a versatile intermediate in synthetic chemistry. Researchers are increasingly exploring its potential applications in drug discovery, agrochemicals, and advanced materials, aligning with the growing demand for fluorinated compounds in modern industries.

One of the key reasons for the rising interest in 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- is its role in click chemistry reactions. The propargyl group enables efficient coupling with azides, making it invaluable for bioconjugation and polymer synthesis. This aligns with current trends in green chemistry, where scientists seek sustainable methods to reduce waste and improve reaction efficiency. The compound's fluorine atoms further enhance its metabolic stability, a critical factor in pharmaceutical development.

In the context of drug discovery, 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- is often utilized as a building block for small-molecule inhibitors. Its structural motif is found in compounds targeting kinase enzymes, which are implicated in various diseases. Recent studies highlight its potential in developing anticancer agents, as fluorinated aromatic systems improve bioavailability and target specificity. This resonates with the increasing focus on precision medicine and personalized therapies.

From a material science perspective, this compound's rigid aromatic core and alkyne functionality make it suitable for designing high-performance polymers. Its incorporation into polymeric networks can enhance thermal stability and mechanical properties, addressing the need for advanced materials in electronics and aerospace. The difluorophenyl group also contributes to electrochemical stability, a sought-after trait in energy storage applications.

Environmental considerations are another hotspot for 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- research. As industries shift toward sustainable synthesis, this compound's potential for catalytic transformations is being explored. Its fluorine atoms can influence reaction selectivity, reducing the need for harsh reagents. This aligns with global initiatives to minimize the environmental footprint of chemical manufacturing.

In summary, 2-Propyn-1-ol, 3-(2,5-difluorophenyl)- (CAS No. 109034-27-7) is a multifaceted compound with broad applications in pharmaceuticals, materials, and green chemistry. Its unique combination of propargyl and difluorophenyl moieties positions it as a valuable tool for innovation across scientific disciplines. As research continues to uncover its potential, this compound is poised to play a pivotal role in addressing contemporary challenges in science and technology.

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