Cas no 40626-55-9 (2-(4-chlorophenyl)-2,2-difluoroacetamide)

2-(4-Chlorophenyl)-2,2-difluoroacetamide is a fluorinated acetamide derivative characterized by its unique structural features, including a 4-chlorophenyl group and two fluorine atoms at the α-position. This compound is of interest in synthetic and medicinal chemistry due to its potential as an intermediate in the development of pharmaceuticals and agrochemicals. The presence of both chlorine and fluorine substituents enhances its reactivity and stability, making it suitable for selective functionalization. Its well-defined molecular structure allows for precise modifications, facilitating research in drug discovery and material science. The compound is typically handled under controlled conditions to ensure purity and consistency in experimental applications.
2-(4-chlorophenyl)-2,2-difluoroacetamide structure
40626-55-9 structure
Product Name:2-(4-chlorophenyl)-2,2-difluoroacetamide
CAS No:40626-55-9
MF:C8H6ClF2NO
MW:205.589148044586
MDL:MFCD21602523
CID:2619165
PubChem ID:73994684
Update Time:2025-10-29

2-(4-chlorophenyl)-2,2-difluoroacetamide Chemical and Physical Properties

Names and Identifiers

    • 2-(4-chlorophenyl)-2,2-difluoroacetamide
    • EN300-96775
    • SHLWQHZATMGNPA-UHFFFAOYSA-N
    • AKOS025211873
    • CS-0265174
    • 40626-55-9
    • SCHEMBL23077098
    • MDL: MFCD21602523
    • Inchi: 1S/C8H6ClF2NO/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H2,12,13)
    • InChI Key: SHLWQHZATMGNPA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C(C(N)=O)(F)F

Computed Properties

  • Exact Mass: 205.0105978Da
  • Monoisotopic Mass: 205.0105978Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 202
  • 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: 2.1
  • Topological Polar Surface Area: 43.1?2

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Additional information on 2-(4-chlorophenyl)-2,2-difluoroacetamide

Introduction to 2-(4-Chlorophenyl)-2,2-Difluoroacetamide (CAS No: 40626-55-9)

2-(4-Chlorophenyl)-2,2-difluoroacetamide is a chemical compound with the CAS registry number 40626-55-9. This compound belongs to the class of acetamides, which are widely used in various industries due to their unique chemical properties. The structure of this compound consists of a central acetyl group (CH3CO-) attached to a nitrogen atom, with a 4-chlorophenyl group and two fluorine atoms substituting at the alpha position of the acetyl group. This substitution pattern imparts distinctive electronic and steric properties to the molecule, making it suitable for diverse applications.

The synthesis of 2-(4-Chlorophenyl)-2,2-difluoroacetamide involves several steps, including the preparation of intermediates such as 4-chlorophenylacetonitrile and subsequent fluorination and amidation reactions. Recent advancements in synthetic chemistry have enabled more efficient and environmentally friendly methods for producing this compound. For instance, researchers have explored the use of microwave-assisted synthesis and catalytic fluorination techniques to optimize the production process.

One of the key areas where 40626-55-9 has shown significant potential is in pharmaceutical research. The compound's ability to modulate specific biological pathways has been explored in preclinical studies. For example, studies have demonstrated that 2-(4-Chlorophenyl)-2,2-difluoroacetamide exhibits inhibitory activity against certain enzymes involved in inflammation and cancer progression. These findings suggest that it could serve as a lead compound for developing novel therapeutic agents.

In addition to its pharmaceutical applications, 40626-55-9 has also been investigated for its agricultural uses. The compound's unique chemical structure endows it with pesticidal properties, making it a potential candidate for controlling various crop pests. Recent research has focused on understanding its mode of action and toxicity profile to ensure safe application in agricultural settings.

The physical and chemical properties of 2-(4-Chlorophenyl)-2,2-difluoroacetamide are well-documented. It is a white crystalline solid with a melting point of approximately 180°C and a molecular weight of 187.58 g/mol. The compound is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and acetonitrile. Its stability under various conditions has been studied extensively, with results indicating that it remains stable under normal storage conditions but may degrade under harsh acidic or basic environments.

From an environmental perspective, the fate and transport of 40626-55-9 in natural systems have been studied to assess its potential impact on ecosystems. Research indicates that the compound undergoes slow degradation in soil and water systems, primarily through microbial activity and photolysis. Efforts are ongoing to develop strategies for mitigating its environmental footprint while maximizing its beneficial applications.

In conclusion, 2-(4-Chlorophenyl)-2,2-difluoroacetamide (CAS No: 40626-55-9) is a versatile compound with promising applications in pharmaceuticals, agriculture, and other industries. Its unique chemical properties and recent advances in synthesis and application research highlight its potential as a valuable tool for addressing various scientific challenges.

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