Cas no 114408-87-6 (1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde)

1-Methyl-1H-1,2,3-benzotriazole-6-carbaldehyde is a heterocyclic organic compound featuring a benzotriazole core substituted with a formyl group at the 6-position and a methyl group at the 1-position. This aldehyde derivative is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its reactive formyl group enables further derivatization through condensation, reduction, or nucleophilic addition reactions. The methyl substitution enhances stability while maintaining reactivity, making it suitable for controlled synthetic applications. The compound’s well-defined structure and purity are critical for reproducibility in research and industrial processes. It is typically handled under standard laboratory conditions, with attention to moisture-sensitive functional groups.
1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde structure
114408-87-6 structure
Product Name:1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde
CAS No:114408-87-6
MF:C8H7N3O
MW:161.160681009293
CID:1088398
PubChem ID:18760799
Update Time:2025-10-30

1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-1H-benzo[d][1,2,3]triazole-6-carbaldehyde
    • 1-Methyl-1H-benzotriazole-6-carbaldehyde
    • 1-methyl-1H-Benzotriazole-6-carboxaldehyde
    • 1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde
    • MFCD21099500
    • PNQUSXNGCIKIDZ-UHFFFAOYSA-N
    • EN300-1693129
    • Z1486003430
    • 3-methyl-1,2,3-benzotriazole-5-carbaldehyde
    • SCHEMBL2880296
    • 114408-87-6
    • AKOS022185407
    • 3-Methylbenzotriazole-5-carbaldehyde
    • DA-29245
    • 1H-Benzotriazole-6-carboxaldehyde, 1-methyl-
    • 3-methyl-3H-benzotriazole-5-carbaldehyde
    • Inchi: 1S/C8H7N3O/c1-11-8-4-6(5-12)2-3-7(8)9-10-11/h2-5H,1H3
    • InChI Key: PNQUSXNGCIKIDZ-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC2=C(C=1)N(C)N=N2

Computed Properties

  • Exact Mass: 161.058911855g/mol
  • Monoisotopic Mass: 161.058911855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • 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: 0.6
  • Topological Polar Surface Area: 47.8?2

1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde Pricemore >>

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Additional information on 1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde

Comprehensive Overview of 1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde (CAS No. 114408-87-6)

1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde (CAS No. 114408-87-6) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and material science. This benzotriazole derivative features a unique aldehyde functional group, making it a valuable intermediate in synthetic chemistry. Researchers and industries are increasingly interested in its potential due to its structural adaptability and reactivity, which align with modern demands for sustainable and efficient chemical processes.

The compound’s molecular structure combines a benzotriazole core with a methyl group at the 1-position and a formyl group at the 6-position. This configuration enables selective modifications, catering to applications like corrosion inhibition, UV stabilization, and bioactive molecule synthesis. Recent studies highlight its role in developing antifungal agents and photoresist materials, addressing growing concerns about microbial resistance and advanced electronics manufacturing.

In the context of green chemistry, 1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde has gained attention for its potential in catalysis and solvent-free reactions. Innovations in microwave-assisted synthesis and flow chemistry have further optimized its production, reducing waste and energy consumption. These advancements resonate with global trends toward eco-friendly industrial practices and circular economy principles.

From a commercial perspective, the demand for high-purity benzotriazole derivatives like this compound is rising, driven by sectors such as electronics, coatings, and pharmaceutical intermediates. Suppliers emphasize batch consistency and regulatory compliance, ensuring suitability for GMP-grade applications. Analytical techniques like HPLC and NMR spectroscopy are critical for quality control, meeting stringent industry standards.

Frequently asked questions about CAS No. 114408-87-6 include inquiries about its storage conditions (typically under inert atmosphere), solubility profiles (compatible with polar organic solvents), and scalability in industrial synthesis. Researchers also explore its structure-activity relationships to design novel heterocyclic compounds with enhanced properties.

In summary, 1-methyl-1H-1,2,3-benzotriazole-6-carbaldehyde exemplifies the intersection of innovation and practical utility in modern chemistry. Its relevance to life sciences, advanced materials, and sustainable technologies positions it as a compound of enduring significance. Future developments may focus on derivatization techniques and hybrid material integration, further expanding its industrial footprint.

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