Cas no 1342130-35-1 (1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid)

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid structure
1342130-35-1 structure
Product Name:1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid
CAS No:1342130-35-1
MF:C6H6F2N2O2
MW:176.120848178864
CID:4590276
PubChem ID:64449342
Update Time:2025-11-02

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid
    • 2-(2,2-difluoroethyl)pyrazole-3-carboxylic acid
    • Inchi: 1S/C6H6F2N2O2/c7-5(8)3-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12)
    • InChI Key: KCLCELLKUDRQFF-UHFFFAOYSA-N
    • SMILES: FC(CN1C(C(=O)O)=CC=N1)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • XLogP3: 0.9
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 320.8±42.0 °C at 760 mmHg
  • Flash Point: 147.8±27.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid Security Information

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Additional information on 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid

Comprehensive Overview of 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS No. 1342130-35-1)

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS No. 1342130-35-1) is a fluorinated pyrazole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound, characterized by the presence of a difluoroethyl group and a carboxylic acid moiety, serves as a versatile intermediate in the synthesis of bioactive molecules. Its pyrazole core is a privileged scaffold in medicinal chemistry, often associated with anti-inflammatory, antimicrobial, and anticancer activities.

In recent years, the demand for fluorinated compounds like 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid has surged, driven by their enhanced metabolic stability and bioavailability. Researchers are particularly interested in its potential applications in drug discovery, where fluorination is a key strategy to improve pharmacokinetic properties. The compound's CAS No. 1342130-35-1 is frequently searched in scientific databases, reflecting its relevance in cutting-edge studies.

The synthesis of 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid typically involves multi-step organic reactions, including cyclization and fluorination processes. Its carboxylic acid functionality allows for further derivatization, making it a valuable building block for heterocyclic chemistry. This adaptability aligns with the growing trend of fragment-based drug design, where small molecules are used to construct larger, more complex structures.

From an industrial perspective, 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid is often discussed in the context of green chemistry and sustainable synthesis. Manufacturers are exploring eco-friendly routes to produce such fluorinated intermediates, addressing concerns about environmental impact. This aligns with the broader shift toward sustainable pharmaceuticals, a topic frequently queried in search engines by professionals and academics alike.

Analytical characterization of CAS No. 1342130-35-1 involves advanced techniques like NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods ensure the compound meets the stringent quality standards required for research and development. The pyrazole ring system in this molecule also contributes to its stability under various conditions, a feature highly valued in high-throughput screening applications.

In the realm of agrochemical innovation, derivatives of 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid have shown promise as potential crop protection agents. The difluoroethyl group can enhance the lipophilicity of molecules, improving their ability to penetrate plant tissues. This has led to increased research into its use for developing next-generation pesticides and herbicides, topics trending in agricultural science forums.

The compound's molecular structure also makes it a candidate for material science applications. Fluorinated pyrazoles are being investigated for their potential in organic electronics and liquid crystal displays, where their electronic properties can be finely tuned. This multidisciplinary relevance explains why searches for "fluorinated pyrazole applications" have spiked in academic search engines.

Quality control of 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid is critical, with strict specifications for residual solvents and heavy metal content. These parameters are essential for ensuring the compound's suitability in sensitive applications like pharmaceutical formulation. The industry's focus on impurity profiling reflects the growing emphasis on product safety and regulatory compliance.

As research continues, CAS No. 1342130-35-1 remains at the forefront of medicinal chemistry innovation. Its balanced combination of a fluorinated side chain and acidic functionality provides a unique platform for designing molecules with tailored properties. This explains its prominence in patent literature and its frequent appearance in searches related to "novel heterocyclic compounds" and "fluorine in drug design".

The future outlook for 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid appears promising, with potential expansions into bioconjugation chemistry and prodrug development. As the scientific community continues to explore the structure-activity relationships of fluorinated heterocycles, this compound is likely to maintain its status as a valuable tool in molecular innovation across multiple disciplines.

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