Cas no 1896959-80-0 (3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol)

3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol is a fluorinated pyridine derivative with a propanol side chain, offering unique reactivity and structural features for synthetic applications. The presence of two fluorine atoms at the β-position enhances its utility as a building block in medicinal chemistry and agrochemical research, where fluorinated compounds are valued for their metabolic stability and lipophilicity. The pyridinyl moiety provides a versatile handle for further functionalization, while the terminal hydroxyl group allows for straightforward derivatization. This compound is particularly useful in the development of bioactive molecules, serving as an intermediate in the synthesis of pharmaceuticals or ligands for metal-catalyzed reactions. Its well-defined structure ensures reproducibility in research applications.
3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol structure
1896959-80-0 structure
Product Name:3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol
CAS No:1896959-80-0
MF:C8H9F2NO
MW:173.159969091415
CID:5704890
PubChem ID:116841095
Update Time:2025-05-22

3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol Chemical and Physical Properties

Names and Identifiers

    • EN300-1645132
    • 3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol
    • 1896959-80-0
    • 3,3-Difluoro-3-pyridin-4-ylpropan-1-ol
    • 4-Pyridinepropanol, γ,γ-difluoro-
    • Inchi: 1S/C8H9F2NO/c9-8(10,3-6-12)7-1-4-11-5-2-7/h1-2,4-5,12H,3,6H2
    • InChI Key: ZWIXAEGDVVRWSZ-UHFFFAOYSA-N
    • SMILES: FC(C1C=CN=CC=1)(CCO)F

Computed Properties

  • Exact Mass: 173.06522023g/mol
  • Monoisotopic Mass: 173.06522023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 135
  • 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
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • Density: 1.226±0.06 g/cm3(Predicted)
  • Boiling Point: 315.2±37.0 °C(Predicted)
  • pka: 14.30±0.10(Predicted)

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Additional information on 3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol

3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol (CAS No. 1896959-80-0): A Versatile Fluorinated Building Block for Pharmaceutical and Material Science

3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol (CAS No. 1896959-80-0) is a fluorinated organic compound that has gained significant attention in recent years due to its unique chemical properties and wide-ranging applications. As a fluorinated pyridine derivative, this compound combines the advantageous characteristics of both fluorine atoms and the pyridine ring, making it particularly valuable in pharmaceutical research and material science.

The molecular structure of 3,3-difluoro-3-(4-pyridyl)-1-propanol features a pyridine ring substituted with a difluorinated propyl alcohol moiety. This specific arrangement contributes to several notable properties, including enhanced metabolic stability and improved bioavailability when used in drug development. The presence of fluorine atoms often leads to increased lipophilicity, which can be crucial for optimizing drug-like properties in medicinal chemistry applications.

In pharmaceutical research, 3,3-difluoro-3-(pyridin-4-yl)propan-1-ol serves as a valuable fluorinated building block for the synthesis of various drug candidates. Researchers particularly value this compound for its potential in creating kinase inhibitors, which are important in cancer treatment research. The pyridine-4-yl group provides excellent hydrogen bonding capabilities, while the difluoromethyl group offers metabolic stability – both crucial factors in modern drug design.

The compound's applications extend beyond pharmaceuticals. In material science, 3,3-difluoro-3-(4-pyridyl)propanol has shown promise in the development of specialty polymers and liquid crystals. The fluorine atoms contribute to unique electronic properties that can be exploited in advanced materials with specific optical or electrical characteristics. This dual applicability in both life sciences and materials research makes it a particularly interesting compound for interdisciplinary studies.

Recent trends in chemical research have highlighted the growing importance of fluorinated pyridine derivatives like 3,3-difluoro-3-(pyridin-4-yl)propan-1-ol. With the pharmaceutical industry's increasing focus on fluorine-containing drugs (currently representing about 20-25% of all pharmaceuticals), compounds that can serve as versatile fluorinated intermediates are in high demand. This specific molecule's balanced properties make it particularly attractive for medicinal chemists working on CNS drugs and anti-inflammatory agents.

Synthetic accessibility is another advantage of 3,3-difluoro-3-(pyridin-4-yl)propan-1-ol. The compound can be prepared through several efficient synthetic routes, allowing for scale-up to meet industrial needs. Common methods involve the nucleophilic addition of pyridine derivatives to appropriately fluorinated precursors, followed by reduction to the alcohol functionality. The availability of reliable synthetic protocols has contributed to its growing popularity in research laboratories.

From a safety perspective, 3,3-difluoro-3-(4-pyridyl)-1-propanol requires standard laboratory precautions typical for organic compounds. While not classified as highly hazardous, proper handling procedures should always be followed, including the use of personal protective equipment and adequate ventilation. The compound's stability under normal conditions makes it relatively convenient to work with in research settings.

The market for fluorinated building blocks like 3,3-difluoro-3-(pyridin-4-yl)propan-1-ol has been steadily growing, driven by the pharmaceutical industry's demand for novel fluorinated compounds. Several specialty chemical suppliers now offer this material in research quantities, with prices varying based on purity and scale. The compound's versatility ensures its continued relevance in drug discovery programs worldwide.

Looking forward, 3,3-difluoro-3-(pyridin-4-yl)propan-1-ol is well-positioned to play an important role in the development of next-generation pharmaceuticals and advanced materials. Its unique combination of fluorination and pyridine functionality provides medicinal chemists with a valuable tool for addressing challenging drug design problems. As research into fluorinated compounds continues to expand, this molecule's importance is likely to grow correspondingly.

For researchers interested in exploring the properties of 3,3-difluoro-3-(4-pyridyl)propanol, numerous published studies demonstrate its utility in various synthetic applications. The compound's NMR spectra and other analytical data are well-documented in the literature, facilitating its identification and characterization in research settings. Its relatively straightforward synthesis also makes it accessible to academic laboratories exploring new fluorination strategies.

In conclusion, 3,3-Difluoro-3-(pyridin-4-yl)propan-1-ol (CAS No. 1896959-80-0) represents an important addition to the toolbox of fluorinated building blocks available to modern researchers. Its balanced properties, synthetic accessibility, and dual applicability in pharmaceuticals and materials science ensure its continued relevance in chemical research. As the importance of fluorinated compounds grows across multiple scientific disciplines, this versatile molecule is poised to make significant contributions to future innovations.

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