Cas no 1041205-43-9 (1-(Difluoromethyl)-4-iodo-1H-pyrazole)

1-(Difluoromethyl)-4-iodo-1H-pyrazole is a fluorinated pyrazole derivative with significant utility in synthetic organic chemistry and pharmaceutical research. The presence of both difluoromethyl and iodo substituents enhances its reactivity, making it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura or Sonogashira couplings. The difluoromethyl group imparts metabolic stability and lipophilicity, which is advantageous in drug design. Its crystalline solid form ensures ease of handling and storage under standard conditions. This compound is particularly valuable in the development of agrochemicals and bioactive molecules due to its structural modularity and potential for further functionalization. High purity grades are typically available for research applications.
1-(Difluoromethyl)-4-iodo-1H-pyrazole structure
1041205-43-9 structure
Product Name:1-(Difluoromethyl)-4-iodo-1H-pyrazole
CAS No:1041205-43-9
MF:C4H3F2IN2
MW:243.981299638748
MDL:MFCD18633160
CID:1029813
PubChem ID:57930964
Update Time:2025-06-08

1-(Difluoromethyl)-4-iodo-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(Difluoromethyl)-4-iodo-1H-pyrazole
    • 1-(difluoromethyl)-4-iodopyrazole
    • Cyclobutyl trifluoromethanesulfote
    • 4-iodo-1-difluoromethylpyrazole
    • AK134687
    • KB-215735
    • SBB073999
    • SureCN733169
    • C4H3F2IN2
    • VMZIHPOJBPKGDR-UHFFFAOYSA-N
    • BCP12513
    • 0962AA
    • SB12181
    • ST24037604
    • Z2065788530
    • DB-290887
    • A896280
    • MFCD18633160
    • SCHEMBL733169
    • 1041205-43-9
    • CS-W000405
    • 1-(difluoromethyl)-4-iodo-pyrazole
    • Z1227760576
    • AKOS013752388
    • STL583943
    • DTXSID30728306
    • EN300-212104
    • DS-4804
    • SY111611
    • O10321
    • F2147-7895
    • MDL: MFCD18633160
    • Inchi: 1S/C4H3F2IN2/c5-4(6)9-2-3(7)1-8-9/h1-2,4H
    • InChI Key: VMZIHPOJBPKGDR-UHFFFAOYSA-N
    • SMILES: IC1C=NN(C(F)F)C=1

Computed Properties

  • Exact Mass: 243.93090g/mol
  • Monoisotopic Mass: 243.93090g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 101
  • 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
  • Topological Polar Surface Area: 17.8
  • XLogP3: 1.7

1-(Difluoromethyl)-4-iodo-1H-pyrazole Security Information

  • Hazard Statement: H315-H319-H335
  • Storage Condition:Keep in dark place,Sealed in dry,2-8°C

1-(Difluoromethyl)-4-iodo-1H-pyrazole Pricemore >>

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Additional information on 1-(Difluoromethyl)-4-iodo-1H-pyrazole

1-(Difluoromethyl)-4-iodo-1H-pyrazole: A Comprehensive Overview

The compound with CAS No. 1041205-43-9, commonly referred to as 1-(Difluoromethyl)-4-iodo-1H-pyrazole, is a highly specialized organic molecule that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique structure, which combines a pyrazole ring with a difluoromethyl group and an iodine substituent. The pyrazole core, a five-membered heterocyclic ring containing two nitrogen atoms, forms the foundation of this molecule, while the difluoromethyl and iodo substituents contribute to its distinctive chemical properties.

Recent advancements in synthetic chemistry have enabled the precise synthesis of 1-(Difluoromethyl)-4-iodo-1H-pyrazole, making it accessible for various applications. The molecule's structure has been extensively studied, revealing its potential as a versatile building block in drug discovery and material synthesis. Its ability to undergo various functional group transformations has made it a valuable intermediate in the construction of complex molecules with bioactive properties.

One of the most notable aspects of 1-(Difluoromethyl)-4-iodo-1H-pyrazole is its reactivity under different chemical conditions. The presence of the difluoromethyl group introduces electron-withdrawing effects, which enhance the electrophilic character of the pyrazole ring. This feature makes the compound highly susceptible to nucleophilic attacks, facilitating its use in cross-coupling reactions—a critical step in modern organic synthesis.

Recent studies have highlighted the potential of this compound in medicinal chemistry, particularly in the development of novel therapeutics targeting various diseases. For instance, researchers have explored its role as a scaffold for designing inhibitors of key enzymes involved in cancer progression and neurodegenerative disorders. The iodo substituent plays a crucial role in modulating the molecule's pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME), which are essential for drug efficacy.

In addition to its medicinal applications, 1-(Difluoromethyl)-4-iodo-1H-pyrazole has shown promise in materials science. Its unique electronic properties make it a candidate for use in advanced materials such as organic semiconductors and optoelectronic devices. Recent research has demonstrated that incorporating this compound into polymer frameworks can enhance their electrical conductivity and stability under harsh conditions.

The synthesis of 1-(Difluoromethyl)-4-iodo-1H-pyrazole involves a multi-step process that requires precise control over reaction conditions to ensure high yields and purity. Key steps include the formation of the pyrazole ring through cyclization reactions and subsequent functionalization with the difluoromethyl and iodo groups. These steps are often optimized using modern computational chemistry tools to predict reaction outcomes and guide experimental design.

Despite its numerous advantages, the use of 1-(Difluoromethyl)-4-iodo-1H-pyrazole is not without challenges. Its reactivity under certain conditions can lead to unwanted side reactions if not properly controlled. Additionally, the compound's stability under prolonged exposure to light or heat requires careful handling during storage and transportation.

In conclusion, 1-(Difluoromethyl)-4-iodo-1H-pyrazole stands as a testament to the ingenuity of modern synthetic chemistry. Its unique structure and versatile properties make it an invaluable tool in both academic research and industrial applications. As ongoing research continues to uncover new potentials for this compound, it is poised to play an increasingly important role in shaping the future of drug discovery and materials science.

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