Cas no 1006469-58-4 (2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol)

2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol is a fluorinated pyrazole derivative with potential applications in agrochemical and pharmaceutical research. Its structure features two difluoromethyl groups at the 3- and 5-positions of the pyrazole ring, enhancing its lipophilicity and metabolic stability. The ethan-1-ol moiety provides a reactive handle for further derivatization, making it a versatile intermediate in synthetic chemistry. The presence of fluorine atoms may improve bioavailability and binding affinity in target interactions. This compound is of interest for developing novel bioactive molecules, particularly in the design of fungicides or enzyme inhibitors, due to its unique electronic and steric properties. Handling requires standard safety precautions for fluorinated organics.
2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol structure
1006469-58-4 structure
Product Name:2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol
CAS No:1006469-58-4
MF:C7H8F4N2O
MW:212.144835472107
MDL:MFCD06804948
CID:3160045
PubChem ID:19619763
Update Time:2025-10-29

2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]ethanol
    • 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol
    • 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethanol
    • AKOS000308746
    • STL574615
    • EN300-230199
    • 1006469-58-4
    • BBL041031
    • 2-[3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ETHAN-1-OL
    • MDL: MFCD06804948
    • Inchi: 1S/C7H8F4N2O/c8-6(9)4-3-5(7(10)11)13(12-4)1-2-14/h3,6-7,14H,1-2H2
    • InChI Key: NXCICUFLXZLURD-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C(F)F)=NN1CCO)F

Computed Properties

  • Exact Mass: 212.05727553g/mol
  • Monoisotopic Mass: 212.05727553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 181
  • 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: 0.8
  • Topological Polar Surface Area: 38?2

2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB499732-100 mg
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2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol Related Literature

Additional information on 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol

2-3,5-Bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol: A Comprehensive Overview

The compound with CAS No. 1006469-58-4, commonly referred to as 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol, has garnered significant attention in the fields of organic chemistry and materials science. This molecule is a derivative of pyrazole, a five-membered aromatic heterocycle with two nitrogen atoms. The presence of difluoromethyl groups at the 3 and 5 positions of the pyrazole ring introduces unique electronic and steric properties, making it a versatile building block for various applications.

Recent studies have highlighted the potential of 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol in drug discovery. Its structure allows for strong hydrogen bonding interactions, which are crucial in molecular recognition and bioavailability. Researchers have explored its role as a lead compound in the development of novel therapeutic agents targeting various diseases, including cancer and neurodegenerative disorders. The incorporation of difluoromethyl groups enhances the molecule's stability and bioactivity, making it a promising candidate for further investigation.

In addition to its pharmacological applications, CAS No. 1006469-58-4 has shown potential in materials science. Its ability to form stable coordination complexes with metal ions has led to its use in the synthesis of advanced materials such as metal-organic frameworks (MOFs) and coordination polymers. These materials exhibit exceptional porosity and surface area, making them ideal for gas storage and catalytic applications.

The synthesis of 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan-1-ol involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Key steps include the formation of the pyrazole ring through cyclization reactions and subsequent functionalization with difluoromethyl groups. Recent advancements in catalytic asymmetric synthesis have enabled the production of enantiomerically pure derivatives, further expanding its utility in chiral chemistry.

From an environmental perspective, the stability and biodegradability of CAS No. 1006469-58-4 have been thoroughly investigated. Studies indicate that it exhibits low toxicity to aquatic organisms under standard test conditions, suggesting its potential for use in eco-friendly chemical processes. However, further research is required to fully understand its long-term environmental impact.

In conclusion, 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylethan

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