Cas no 78425-11-3 (3-[(1H-pyrazol-1-yl)methyl]benzaldehyde)

3-[(1H-Pyrazol-1-yl)methyl]benzaldehyde is a versatile aromatic aldehyde featuring a pyrazole-functionalized benzyl group. Its molecular structure combines the reactivity of an aldehyde moiety with the heterocyclic properties of pyrazole, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The compound exhibits excellent stability under standard conditions and demonstrates compatibility with a range of chemical transformations, including condensation, nucleophilic addition, and cyclization reactions. Its bifunctional nature allows for selective modifications at either the aldehyde or pyrazole group, enabling tailored derivatization for target applications. The product is particularly useful in the development of biologically active compounds, coordination chemistry, and materials science due to its well-defined reactivity profile and structural versatility.
3-[(1H-pyrazol-1-yl)methyl]benzaldehyde structure
78425-11-3 structure
Product Name:3-[(1H-pyrazol-1-yl)methyl]benzaldehyde
CAS No:78425-11-3
MF:C11H10N2O
MW:186.20990228653
MDL:MFCD08059836
CID:984208
PubChem ID:18525878
Update Time:2025-05-24

3-[(1H-pyrazol-1-yl)methyl]benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-((1H-Pyrazol-1-yl)methyl)benzaldehyde
    • 3-(1H-Pyrazol-1-ylmethyl)benzaldehyde
    • 3-(pyrazolylmethyl)benzaldehyde
    • AG-H-14733
    • CTK5E5775
    • MolPort-000-143-720
    • SBB090419
    • 3-[(1H-pyrazol-1-yl)methyl]benzaldehyde
    • DTXSID40594630
    • AS-9256
    • CS-0313881
    • 3-(pyrazol-1-ylmethyl)benzaldehyde
    • 3-(1H-Pyrazol-1-ylmethyl)benzaldehyde,97%
    • 78425-11-3
    • FT-0708037
    • AKOS006281428
    • SCHEMBL895371
    • MFCD08059836
    • DB-029176
    • MDL: MFCD08059836
    • Inchi: 1S/C11H10N2O/c14-9-11-4-1-3-10(7-11)8-13-6-2-5-12-13/h1-7,9H,8H2
    • InChI Key: VKSSMLBTEXYZDT-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC(=C1)CN1C=CC=N1

Computed Properties

  • Exact Mass: 186.079312947g/mol
  • Monoisotopic Mass: 186.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 1.2
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Color/Form: No data available
  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available
  • Refractive Index: 1.592
  • PSA: 34.89000
  • LogP: 1.74390
  • Vapor Pressure: Not available

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Additional information on 3-[(1H-pyrazol-1-yl)methyl]benzaldehyde

3-[(1H-pyrazol-1-yl)methyl]benzaldehyde: A Comprehensive Overview

3-[(1H-pyrazol-1-yl)methyl]benzaldehyde, also known by its CAS number CAS No. 78425-11-3, is a fascinating organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a benzaldehyde moiety with a pyrazole ring through a methylene group. The pyrazole ring, a five-membered aromatic heterocycle containing two nitrogen atoms, imparts distinctive electronic and steric properties to the molecule, making it highly versatile for various applications.

The synthesis of 3-[(1H-pyrazol-1-yl)methyl]benzaldehyde typically involves multi-step reactions, often starting from readily available starting materials such as benzaldehyde and pyrazole derivatives. One common approach is the nucleophilic substitution reaction, where the pyrazole ring acts as a nucleophile attacking an appropriately substituted benzaldehyde derivative. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing reaction times and improving yields. These developments have made the compound more accessible for both academic research and industrial applications.

3-[(1H-pyrazol-1-yl)methyl]benzaldehyde exhibits remarkable chemical stability under standard conditions, making it suitable for use in various environments. Its electronic properties, particularly the conjugation between the benzene ring and the pyrazole moiety, contribute to its strong absorption in the ultraviolet-visible spectrum. This characteristic has been exploited in the development of novel materials for optoelectronic devices, such as organic light-emitting diodes (OLEDs) and photovoltaic cells.

In recent years, researchers have explored the potential of CAS No. 78425-11-3 in drug discovery. The compound's ability to act as a ligand in metalloenzyme inhibition has shown promise in combating diseases such as cancer and neurodegenerative disorders. For instance, studies have demonstrated that derivatives of this compound can modulate the activity of key enzymes involved in cell signaling pathways, offering new avenues for therapeutic intervention.

The application of 3-[(1H-pyrazol-1-yl)methyl]benzaldehyde extends beyond medicine into materials science. Its use as a precursor in polymer synthesis has led to the development of advanced materials with tailored mechanical and thermal properties. Additionally, its role as an intermediate in organic synthesis has facilitated the construction of complex molecular architectures, further underscoring its importance in modern chemistry.

In conclusion, 3-[(1H-pyrazol-1-yl)methyl]benzaldehyde, or CAS No. 78425-11-3, stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, efficient synthesis methods, and promising results in drug discovery and materials science position it as a key player in future innovations. As research continues to uncover new potentials for this compound, its significance in both academic and industrial settings is expected to grow further.

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