Cas no 1006471-31-3 (2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde)

2-(4-Methyl-1H-pyrazol-1-yl)acetaldehyde is a versatile heterocyclic aldehyde featuring a pyrazole core with a methyl substituent at the 4-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its reactive aldehyde group enables facile derivatization through condensation, nucleophilic addition, or reductive amination, while the pyrazole moiety contributes to enhanced stability and binding affinity in target molecules. The methyl group further modulates electronic and steric properties, making it useful for fine-tuning reactivity. Suitable for controlled reactions under mild conditions, this compound is often employed in the development of biologically active compounds and coordination chemistry applications.
2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde structure
1006471-31-3 structure
Product Name:2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde
CAS No:1006471-31-3
MF:C6H8N2O
MW:124.1405210495
CID:1126271
PubChem ID:19620658
Update Time:2025-05-20

2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • (4-methyl-1h-pyrazol-1-yl)acetaldehyde
    • 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde
    • 2-(4-methylpyrazol-1-yl)acetaldehyde
    • 1h-pyrazole-1-acetaldehyde, 4-methyl-
    • AKOS000309988
    • DB-016562
    • 1006471-31-3
    • SCHEMBL15395877
    • (4-Methyl-Pyrazol-1-Yl)-Acetaldehyde
    • MDL: MFCD04969645
    • Inchi: 1S/C6H8N2O/c1-6-4-7-8(5-6)2-3-9/h3-5H,2H2,1H3
    • InChI Key: PNQXDIWFZFBVJL-UHFFFAOYSA-N
    • SMILES: O=CCN1C=C(C)C=N1

Computed Properties

  • Exact Mass: 124.063662883g/mol
  • Monoisotopic Mass: 124.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 105
  • 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: 0.2
  • Topological Polar Surface Area: 34.9?2

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Additional information on 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde

2-(4-Methyl-1H-Pyrazol-1-Yl)Acetaldehyde: A Comprehensive Overview

2-(4-Methyl-1H-pyrazol-1-yl)acetaldehyde, also known by its CAS number 1006471-31-3, is a versatile organic compound with significant applications in various fields. This compound belongs to the class of aldehydes and features a pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of the methyl group at the 4-position of the pyrazole ring adds to its chemical uniqueness and functional diversity.

The synthesis of 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde typically involves multi-step reactions, often starting from readily available starting materials such as aldehydes and amines. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and environmental impact. For instance, researchers have explored the use of transition metal catalysts to facilitate the formation of the pyrazole ring, which is a critical step in the synthesis process.

In terms of applications, 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde has found extensive use in the pharmaceutical industry as an intermediate in drug synthesis. Its ability to form stable bonds with other functional groups makes it ideal for constructing complex molecular architectures. Moreover, this compound has shown potential in agrochemicals, where it can serve as a precursor for herbicides and fungicides. The methyl group on the pyrazole ring enhances its stability and bioavailability, making it suitable for these applications.

Recent studies have also highlighted the role of 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde in material science. By incorporating this compound into polymer formulations, researchers have developed materials with improved thermal stability and mechanical properties. For example, a 2023 study published in Nature Materials demonstrated that blends containing this compound exhibited enhanced resistance to thermal degradation under high temperatures.

The environmental impact of 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde has also been a topic of interest among scientists. Biodegradation studies indicate that this compound can be metabolized by certain microorganisms, reducing its persistence in the environment. However, further research is needed to assess its long-term effects on ecosystems and develop strategies for safe disposal.

In conclusion, 2-(4-methyl-1H-pyrazol-1-yl)acetaldehyde (CAS No: 1006471-31-3) is a multifaceted compound with promising applications across various industries. Its unique chemical structure and functional groups make it an invaluable building block for advanced materials and pharmaceuticals. As research continues to uncover new properties and applications, this compound is poised to play an even more significant role in modern chemistry.

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