Cas no 114490-29-8 (4-(1,1-Difluoroethyl)pyridine)

4-(1,1-Difluoroethyl)pyridine is a fluorinated pyridine derivative characterized by the presence of a difluoroethyl substituent at the 4-position of the pyridine ring. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile building block for the synthesis of biologically active molecules. The difluoroethyl group enhances metabolic stability and lipophilicity, which can improve pharmacokinetic properties. Its electron-withdrawing nature also makes it useful in modulating reactivity in heterocyclic chemistry. The compound is typically employed in cross-coupling reactions, nucleophilic substitutions, and as a precursor for further functionalization. High purity grades are available to ensure reproducibility in synthetic applications.
4-(1,1-Difluoroethyl)pyridine structure
4-(1,1-Difluoroethyl)pyridine structure
Product Name:4-(1,1-Difluoroethyl)pyridine
CAS No:114490-29-8
MF:C7H7F2N
MW:143.133988618851
MDL:MFCD12404950
CID:132413
PubChem ID:640479
Update Time:2025-05-22

4-(1,1-Difluoroethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine,4-(1,1-difluoroethyl)-
    • 4-(1,1-DIFLUOROETHYL)PYRIDINE
    • Pyridine, 4-(1,1-difluoroethyl)- (9CI)
    • 2,2-Difluoro-2-(4-pyridyl)ethane
    • AC1LD0RZ
    • c1-7(8,9)6-2-4-10-5-3-6
    • C7H7F2N
    • h2-5H,1H
    • SureCN2705790
    • 114490-29-8
    • SCHEMBL2705790
    • SB54767
    • CS-0325200
    • DTXSID10348743
    • MFCD12404950
    • IEUYVLHLIXKLHF-UHFFFAOYSA-N
    • pyridine, 4-(1,1-difluoroethyl)-
    • InChI=1/C7H7F2N/c1-7(8,9)6-2-4-10-5-3-6/h2-5H,1H
    • AKOS005258046
    • STL556682
    • DB-348488
    • BBL102874
    • 4-(1,1-Difluoroethyl)pyridine
    • MDL: MFCD12404950
    • Inchi: 1S/C7H7F2N/c1-7(8,9)6-2-4-10-5-3-6/h2-5H,1H3
    • InChI Key: IEUYVLHLIXKLHF-UHFFFAOYSA-N
    • SMILES: FC(C)(C1C=CN=CC=1)F

Computed Properties

  • Exact Mass: 143.05471
  • Monoisotopic Mass: 143.05465555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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: 1.7
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

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Additional information on 4-(1,1-Difluoroethyl)pyridine

4-(1,1-Difluoroethyl)pyridine: A Comprehensive Overview

The compound with CAS No. 114490-29-8, commonly referred to as 4-(1,1-Difluoroethyl)pyridine, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In this article, we will delve into the details of its structure, synthesis, properties, and recent advancements in its utilization.

4-(1,1-Difluoroethyl)pyridine is an aromatic heterocyclic compound characterized by a pyridine ring substituted with a 1,1-difluoroethyl group at the fourth position. The pyridine ring, a six-membered aromatic ring with one nitrogen atom, is a fundamental structure in many pharmaceutical and agrochemical compounds. The substitution pattern of this molecule plays a crucial role in determining its chemical reactivity and biological activity.

Recent studies have highlighted the importance of fluorinated pyridines like 4-(1,1-Difluoroethyl)pyridine in drug discovery. Fluorination is known to enhance the lipophilicity and metabolic stability of molecules, making them more suitable for pharmaceutical applications. The 1,1-difluoroethyl group introduces a unique electronic environment around the pyridine ring, which can influence its interaction with biological targets.

The synthesis of 4-(1,1-Difluoroethyl)pyridine typically involves multi-step organic reactions. One common approach is the nucleophilic substitution of an appropriate pyridine derivative with a difluoroethyl group. Researchers have explored various reaction conditions to optimize yield and purity, ensuring that the final product meets the stringent requirements of modern chemical industries.

In terms of physical properties, 4-(1,1-Difluoroethyl)pyridine exhibits a melting point of approximately 65°C and a boiling point around 230°C under standard atmospheric pressure. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various chemical processes. The compound's stability under different environmental conditions has also been thoroughly investigated to ensure safe handling and storage.

The application of 4-(1,1-Difluoroethyl)pyridine spans across multiple domains. In the pharmaceutical sector, it serves as an intermediate in the synthesis of bioactive compounds targeting various diseases. Recent research has focused on its role as a building block for developing new antiviral agents and anticancer drugs. Its ability to modulate enzyme activity through strategic substitutions has positioned it as a valuable tool in medicinal chemistry.

In addition to pharmaceutical applications, 4-(1,1-Difluoroethyl)pyridine finds utility in agrochemicals and materials science. Its incorporation into herbicides and insecticides has shown promise due to its enhanced stability and efficacy compared to traditional compounds. Furthermore, its unique electronic properties make it a candidate for use in advanced materials such as organic semiconductors.

Recent advancements in computational chemistry have provided deeper insights into the electronic structure of 4-(1,1-Difluoroethyl)pyridine. Quantum mechanical calculations have revealed that the fluorinated substituent significantly alters the electron distribution around the pyridine ring, enhancing its reactivity towards electrophilic substitution reactions. These findings have been instrumental in designing more efficient synthetic routes for this compound.

The environmental impact of synthesizing and using 4-(1,1-Difluoroethyl)pyridine has also been a topic of recent research. Efforts are being made to develop eco-friendly synthesis methods that minimize waste generation and energy consumption. Green chemistry principles are being integrated into production processes to ensure sustainability while maintaining high-quality standards.

In conclusion, 4-(1,1-Difluoroethyl)pyridine, with CAS No. 114490-29-8, stands out as a versatile compound with diverse applications across multiple industries. Its unique structural features and promising biological activities continue to drive innovative research aimed at unlocking its full potential. As advancements in synthetic methods and computational modeling progress, this compound is expected to play an even more pivotal role in shaping future developments in organic chemistry.

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