Cas no 2243507-75-5 (1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde)

1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde is a specialized heterocyclic aldehyde featuring a cyclobutyl substituent and a methylated pyrazole core. This compound is of interest in synthetic organic chemistry due to its functional versatility, serving as a key intermediate in the preparation of pharmacologically active molecules and agrochemicals. The presence of both the aldehyde group and the pyrazole ring enables diverse reactivity, facilitating condensation, cyclization, and nucleophilic addition reactions. Its rigid cyclobutyl moiety may contribute to steric and electronic effects, influencing selectivity in target-oriented synthesis. The compound is typically handled under controlled conditions due to its reactive aldehyde functionality, requiring appropriate storage and handling protocols.
1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde structure
2243507-75-5 structure
Product Name:1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde
CAS No:2243507-75-5
MF:C9H12N2O
MW:164.204381942749
CID:5463535
Update Time:2025-11-02

1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde
    • 1-cyclobutyl-5-methyl-1H-pyrazole-4-carbaldehyde
    • Z3338038685
    • 1H-Pyrazole-4-carboxaldehyde, 1-cyclobutyl-5-methyl-
    • Inchi: 1S/C9H12N2O/c1-7-8(6-12)5-10-11(7)9-3-2-4-9/h5-6,9H,2-4H2,1H3
    • InChI Key: NTZXAQUDBMQBKQ-UHFFFAOYSA-N
    • SMILES: O=CC1C=NN(C=1C)C1CCC1

Computed Properties

  • Exact Mass: 164.094963011 g/mol
  • Monoisotopic Mass: 164.094963011 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 0.9
  • Topological Polar Surface Area: 34.9
  • Molecular Weight: 164.20

1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde Pricemore >>

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Additional information on 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde

Exploring the Versatile Applications of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde (CAS No. 2243507-75-5)

1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde (CAS No. 2243507-75-5) is a specialized organic compound that has garnered significant attention in the field of medicinal chemistry and material science. This unique pyrazole derivative, characterized by its cyclobutyl and aldehyde functional groups, serves as a crucial intermediate in the synthesis of various bioactive molecules. Researchers and pharmaceutical companies are increasingly interested in this compound due to its potential applications in drug discovery and development.

The molecular structure of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde features a pyrazole ring substituted with a methyl group at the 5-position and a cyclobutyl moiety at the 1-position. The presence of an aldehyde group at the 4-position makes it a valuable building block for further chemical modifications. This structural versatility allows chemists to explore diverse synthetic pathways, making it a hot topic in recent scientific literature and patent applications.

In the pharmaceutical industry, 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde has shown promise as a precursor for the development of novel therapeutic agents. Recent studies have highlighted its potential in creating kinase inhibitors, which are crucial for treating various diseases including cancer and inflammatory disorders. The compound's ability to form stable complexes with biological targets has made it a subject of intense research in drug design and medicinal chemistry.

Beyond pharmaceutical applications, 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde has found use in material science as a building block for advanced polymers and functional materials. Its unique electronic properties and structural rigidity make it suitable for creating high-performance materials with specific optical or electronic characteristics. This dual applicability in both life sciences and material science has significantly increased its market demand in recent years.

The synthesis of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity and yield. Modern synthetic approaches often employ catalyzed reactions and green chemistry principles to improve efficiency and reduce environmental impact. These advancements align with the growing industry focus on sustainable chemistry and eco-friendly synthesis methods.

Analytical characterization of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde is typically performed using advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure the compound meets the stringent purity requirements for pharmaceutical applications. The availability of high-quality analytical data has become increasingly important for researchers working with this compound, as evidenced by frequent searches for "1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde characterization" in scientific databases.

The market for 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde has shown steady growth, driven by increasing research activities in both academic and industrial settings. Suppliers are focusing on scaling up production while maintaining consistent quality, addressing common customer queries about "bulk availability of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde" and "custom synthesis options." The compound's CAS number (2243507-75-5) serves as a crucial identifier for researchers and procurement specialists navigating chemical databases.

Recent advancements in computational chemistry have enabled better prediction of the properties and reactivity of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde, reducing the time and cost associated with experimental screening. This aligns with the pharmaceutical industry's growing interest in AI-assisted drug discovery and in silico modeling techniques. Such technological developments have made this compound even more valuable in modern research workflows.

Storage and handling of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde require standard laboratory precautions for organic compounds. Proper storage conditions (typically cool and dry environments) and appropriate personal protective equipment are recommended, as indicated by frequent searches for "1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde safety data." These considerations are particularly important for researchers new to working with this specialized chemical.

Looking ahead, the future of 1-Cyclobutyl-5-methylpyrazole-4-carbaldehyde appears promising, with potential applications expanding into new areas of research. Its role in developing next-generation therapeutics and advanced materials continues to attract scientific interest. As synthetic methodologies improve and our understanding of its properties deepens, this compound is likely to remain an important tool in chemical research and development for years to come.

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