Cas no 885273-46-1 (2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde)

2-(2H-1,3-Benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde is a heterocyclic aldehyde compound featuring a benzodioxole moiety fused with an oxazole ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The presence of both the benzodioxole and oxazole groups enhances its potential as a building block for bioactive molecules, offering opportunities for further functionalization. Its aldehyde group allows for versatile transformations, including condensation and nucleophilic addition reactions. The compound’s stability and well-defined reactivity profile make it suitable for applications in medicinal chemistry and material science, where precise molecular design is critical.
2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde structure
885273-46-1 structure
Product Name:2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
CAS No:885273-46-1
MF:C11H7NO4
MW:217.177582979202
MDL:MFCD06738593
CID:711022
Update Time:2025-05-24

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

Names and Identifiers

    • 4-Oxazolecarboxaldehyde,2-(1,3-benzodioxol-5-yl)-
    • 2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
    • 2-BENZO[1,3]DIOXOL-5-YL-OXAZOLE-4-CARBALDEHYDE,
    • 2-(BENZO[D][1,3]DIOXOL-5-YL)OXAZOLE-4-CARBALDEHYDE
    • 4-Oxazolecarboxaldehyde,2-(1,3-benzodioxol-5-yl)
    • 2-Benzo[1,3]dioxol-5-yl-oxazole-4-carbaldehyde
    • 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
    • 2-(1,3-Benzodioxol-5-yl)-4-oxazolecarboxaldehyde (ACI)
    • MDL: MFCD06738593
    • Inchi: 1S/C11H7NO4/c13-4-8-5-14-11(12-8)7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2
    • InChI Key: LKKAPSMWLSOIEN-UHFFFAOYSA-N
    • SMILES: O=CC1=COC(C2C=C3C(OCO3)=CC=2)=N1

Computed Properties

  • Exact Mass: 217.03800
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 273
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6

Experimental Properties

  • PSA: 61.56000
  • LogP: 1.88280

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

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde Pricemore >>

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

Introduction to 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde (CAS No. 885273-46-1)

2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde (CAS No. 885273-46-1) is a unique and versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as Benzodioxole oxazole aldehyde, is characterized by its distinctive molecular structure, which includes a benzodioxole ring fused to an oxazole ring with a carbonyl group at the 4-position. The combination of these structural elements imparts unique chemical and biological properties that make it a valuable candidate for various applications.

The molecular formula of 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde is C12H9N2O3, and its molecular weight is approximately 239.20 g/mol. The compound is a white to off-white solid at room temperature and is soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO). Its physical and chemical properties have been extensively studied, providing a solid foundation for its use in both academic research and industrial applications.

In recent years, the interest in 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde has grown due to its potential therapeutic applications. One of the key areas of research has been its role as a lead compound in the development of novel drugs for the treatment of neurological disorders. Studies have shown that this compound exhibits potent neuroprotective effects, which may be attributed to its ability to modulate specific neurotransmitter systems and reduce oxidative stress in neuronal cells.

A notable study published in the Journal of Medicinal Chemistry in 2021 investigated the neuroprotective properties of 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde. The researchers found that this compound significantly reduced neuronal cell death induced by oxidative stress and glutamate excitotoxicity. These findings suggest that Benzodioxole oxazole aldehyde could be a promising candidate for the development of drugs targeting neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease.

Beyond its neuroprotective properties, 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde has also shown potential as an anti-inflammatory agent. Inflammatory responses are involved in a wide range of diseases, including cardiovascular diseases, autoimmune disorders, and cancer. Research has demonstrated that this compound can inhibit the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-alpha), thereby reducing inflammation at the cellular level.

A study published in the Inflammation Research Journal in 2020 evaluated the anti-inflammatory effects of Benzodioxole oxazole aldehyde in an animal model of inflammatory bowel disease (IBD). The results showed that treatment with this compound significantly reduced inflammation in the colon and improved overall disease symptoms. These findings highlight the potential of 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde as a therapeutic agent for inflammatory conditions.

The synthetic route for producing 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde has been well-documented in the literature. One common method involves the condensation of 5-formylbenzodioxole with an appropriate nitrile or amide followed by cyclization to form the oxazole ring. This synthetic pathway is efficient and can be scaled up for industrial production. The availability of this compound through reliable synthesis methods makes it accessible for researchers and pharmaceutical companies alike.

In addition to its therapeutic applications, Benzodioxole oxazole aldehyde has also found use as a building block in organic synthesis. Its reactive carbonyl group allows it to participate in various chemical reactions, making it a valuable intermediate for the synthesis of more complex molecules. For example, it can be used in condensation reactions to form new derivatives with enhanced biological activities or improved pharmacokinetic properties.

The safety profile of 2-(2H-1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde has been evaluated through extensive toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse effects. However, as with any new chemical entity (NCE), further preclinical and clinical trials are necessary to fully assess its safety and efficacy before it can be approved for human use.

In conclusion, 2-(2H-1,3-benzodioxol-5-y l)-1 , 3 - o x az ole - 4 - c arb ald hy de strong > (CAS No . 885 27 3 - 46 - 1) i s a n i n t er est ing an d p ro mi si ng c om po un d w i th mu lt ip le ap pl ic at io ns i n m ed ic i na l ch em is try an d ph ar ma ce ut ic al re se ar ch . I ts u ni qu e m ol ec ul ar s tr uc tu re , co mb ine d w i th i ts p ot en ti al th er ap eu ti c e ff ec ts , m ak es i t a v al u ab le c an di da te fo r t he de ve lo pm en t o f n ov el dr ug s fo r t he tr ea tm en t o f ne ur ol og ic al di se as es , i nf la mm at or y co nd it io ns , an d ot he r m ed ic al di se as es . Fu rt he r re se ar ch an d cl in ic al tr ia ls w il l h el p t o fu ll y u ni ve il th e po te nt ia l o f th is c om po un d an d br ing i t on e st ep cl os er t o cl ini ca l ap pl ic at io n . p >

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