Cas no 1700106-30-4 (5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde)

5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde is a versatile heterocyclic aldehyde compound featuring a benzaldehyde core substituted with a 4-methylpyrazole moiety at the 2-position and a methyl group at the 5-position. This structural configuration imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. Its pyrazole ring enhances stability and offers potential for further functionalization, while the aldehyde group provides a reactive site for condensation, reduction, or nucleophilic addition reactions. The compound’s well-defined structure and synthetic utility make it suitable for applications requiring precise molecular design, such as ligand development or bioactive molecule synthesis.
5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde structure
1700106-30-4 structure
Product Name:5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde
CAS No:1700106-30-4
MF:C12H12N2O
MW:200.236482620239
CID:5703506
PubChem ID:84669497
Update Time:2025-11-02

5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde
    • 1700106-30-4
    • EN300-1292151
    • Benzaldehyde, 5-methyl-2-(4-methyl-1H-pyrazol-1-yl)-
    • Inchi: 1S/C12H12N2O/c1-9-3-4-12(11(5-9)8-15)14-7-10(2)6-13-14/h3-8H,1-2H3
    • InChI Key: QNWNMQLGCUMQCQ-UHFFFAOYSA-N
    • SMILES: O=CC1C=C(C)C=CC=1N1C=C(C)C=N1

Computed Properties

  • Exact Mass: 200.094963011g/mol
  • Monoisotopic Mass: 200.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 34.9?2

Experimental Properties

  • Density: 1.11±0.1 g/cm3(Predicted)
  • Boiling Point: 347.2±37.0 °C(Predicted)
  • pka: 1.05±0.10(Predicted)

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Additional information on 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde

5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde: A Versatile Chemical Intermediate with Emerging Applications

5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde (CAS No. 1700106-30-4) is an important heterocyclic benzaldehyde derivative that has gained significant attention in pharmaceutical research and specialty chemical synthesis. This pyrazole-containing aromatic aldehyde serves as a key building block for the development of various biologically active compounds, particularly in medicinal chemistry applications.

The molecular structure of 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde combines a benzaldehyde core with a 4-methylpyrazole substituent, creating unique electronic properties that make it valuable for drug discovery and material science. Recent studies highlight its potential as a precursor for small molecule therapeutics, especially in areas like kinase inhibitor development and anti-inflammatory agents, which are currently trending in pharmaceutical research.

From a synthetic chemistry perspective, the aldehyde functional group in 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde offers excellent reactivity for various transformations, including condensation reactions, reductive amination, and nucleophilic additions. This versatility explains why researchers frequently search for "synthesis methods for pyrazole benzaldehyde derivatives" and "applications of 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde in drug design" in scientific databases.

The compound's physicochemical properties have been extensively studied to support its various applications. With a molecular weight of 200.24 g/mol, this pale yellow crystalline solid typically shows good solubility in common organic solvents like DMSO, methanol, and dichloromethane, but limited water solubility. These characteristics make it particularly suitable for organic synthesis and medicinal chemistry applications where controlled reactivity is desired.

In the pharmaceutical industry, 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde has emerged as a valuable intermediate for developing targeted therapies. Recent patent literature reveals its use in creating compounds with potential activity against various diseases, aligning with current trends in personalized medicine and precision drug development. This explains the growing number of searches for "pyrazole benzaldehyde derivatives in drug discovery" across scientific platforms.

The compound's stability profile and synthetic accessibility have also made it attractive for material science applications. Researchers are exploring its use in developing functional materials, including coordination polymers and photoactive compounds, responding to the increasing demand for advanced materials in various technological applications. This multidisciplinary potential contributes to its growing importance in chemical research.

Quality control of 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde typically involves analytical techniques such as HPLC, GC-MS, and NMR spectroscopy to ensure purity and confirm structural integrity. The compound's characterization data is frequently requested by researchers, as evidenced by search queries like "NMR spectrum of 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde" and "analytical methods for pyrazole aldehydes".

From a commercial perspective, the market for 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde has shown steady growth, driven by increasing research activities in pharmaceutical development and specialty chemicals. Suppliers often highlight its availability in various quantities, from milligram-scale for research purposes to kilogram quantities for industrial applications, addressing different customer needs in the chemical community.

Safety considerations for handling 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde follow standard laboratory practices for organic compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses is recommended during handling, reflecting the chemical industry's growing emphasis on laboratory safety standards and responsible chemical management.

The future outlook for 5-Methyl-2-(4-methyl-1H-pyrazol-1-yl)benzaldehyde appears promising, with potential expansions into new application areas. Current research trends suggest growing interest in its use for developing bioactive compounds and functional materials, positioning this compound as an important player in the evolving landscape of specialty chemicals and pharmaceutical intermediates.

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