Cas no 885278-54-6 (2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde)

2-(2H-1,3-Benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde is a heterocyclic aldehyde compound featuring a benzodioxole moiety fused to a thiazole ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. The presence of both the aldehyde and thiazole functional groups allows for versatile derivatization, enabling the formation of Schiff bases, heterocyclic condensations, and other key transformations. Its benzodioxole component enhances stability and may influence biological activity. The compound is suited for applications requiring precise molecular modifications, offering synthetic flexibility for researchers in medicinal chemistry and material science. Proper handling under inert conditions is recommended due to its aldehyde sensitivity.
2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde structure
885278-54-6 structure
Product Name:2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CAS No:885278-54-6
MF:C11H7NO3S
MW:233.243181467056
CID:892805
PubChem ID:50990810
Update Time:2025-06-13

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-BENZO[1,3]DIOXOL-5-YL-THIAZOLE-4-CARBALDEHYDE
    • 2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
    • 2-(1,3-benzodioxol-5-yl)-4-Thiazolecarboxaldehyde
    • 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
    • 2-(Benzo[d][1,3]dioxol-5-yl)thiazole-4-carbaldehyde
    • DTXSID50679164
    • 2-(1,3-Dioxaindan-5-yl)-1,3-thiazole-4-carbaldehyde
    • AB26978
    • Z728141698
    • A861924
    • EN300-68544
    • C11H7NO3S
    • AKOS010225933
    • FT-0717693
    • 885278-54-6
    • CS-0257925
    • DB-077759
    • MDL: MFCD06738355
    • Inchi: 1S/C11H7NO3S/c13-4-8-5-16-11(12-8)7-1-2-9-10(3-7)15-6-14-9/h1-5H,6H2
    • InChI Key: XZGUSPBBCYKJOX-UHFFFAOYSA-N
    • SMILES: S1C=C(C=O)N=C1C1C=CC2=C(C=1)OCO2

Computed Properties

  • Exact Mass: 233.01500
  • Monoisotopic Mass: 233.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 276
  • 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
  • Topological Polar Surface Area: 76.7A^2
  • XLogP3: 2.2

Experimental Properties

  • PSA: 76.66000
  • LogP: 2.35130

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde

Comprehensive Overview of 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde (CAS No. 885278-54-6)

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde (CAS No. 885278-54-6) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry, material science, and synthetic biology. This compound, characterized by its unique benzodioxole and thiazole moieties, serves as a versatile intermediate in the synthesis of more complex molecules. Its structural features make it particularly valuable for researchers exploring heterocyclic chemistry and bioactive molecule design.

The growing interest in 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde is partly due to its potential applications in drug discovery and pharmaceutical development. Recent studies have highlighted its role as a precursor for compounds with antimicrobial, anti-inflammatory, and antioxidant properties. In the context of green chemistry, researchers are also investigating eco-friendly synthesis routes for this compound to align with sustainable practices. These trends reflect the broader shift toward environmentally conscious and efficient chemical synthesis.

From a structural perspective, the benzodioxole group in 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde contributes to its stability and reactivity, while the thiazole ring enhances its potential for forming hydrogen bonds and other non-covalent interactions. This combination makes the compound a promising candidate for molecular docking studies and structure-activity relationship (SAR) analyses. Researchers frequently search for information on its spectroscopic properties, solubility, and synthetic protocols, underscoring its relevance in both academic and industrial settings.

In the realm of material science, 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde has been explored for its potential in designing organic semiconductors and luminescent materials. Its conjugated system and electron-rich heterocycles make it suitable for applications in optoelectronic devices and sensors. As the demand for advanced materials grows, this compound is increasingly featured in discussions about next-generation technologies and smart materials.

For those seeking practical insights, the compound's handling and storage conditions are critical considerations. While it is not classified as a hazardous material, proper precautions should be taken to ensure its stability and longevity. Common queries include its melting point, boiling point, and compatibility with various solvents, which are essential for laboratory applications. Additionally, its NMR spectra and mass spectrometry data are frequently requested by analytical chemists.

The future of 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde lies in its adaptability to emerging scientific challenges. Whether in catalysis, bioconjugation, or nanotechnology, its multifunctional nature positions it as a valuable tool for innovation. As research continues to uncover new applications, this compound is poised to remain a focal point in the chemical sciences.

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