Cas no 67667-62-3 (De-O-methylacetovanillochromene)

De-O-methylacetovanillochromene is a chromene derivative characterized by its unique structural framework, incorporating acetovanillone and chromene moieties. This compound is of interest in synthetic and medicinal chemistry due to its potential as a precursor or intermediate in the development of bioactive molecules. Its distinct chemical structure offers versatility for further functionalization, enabling applications in pharmacological research, particularly in studies targeting antioxidant, anti-inflammatory, or neuroprotective pathways. The absence of the methoxy group at the specified position may influence its reactivity and binding affinity, making it a valuable scaffold for structure-activity relationship investigations. High purity and well-defined synthesis routes ensure reproducibility for research purposes.
De-O-methylacetovanillochromene structure
67667-62-3 structure
Product Name:De-O-methylacetovanillochromene
CAS No:67667-62-3
MF:C13H14O3
MW:218.248464107513
CID:837591
PubChem ID:11106833
Update Time:2025-06-14

De-O-methylacetovanillochromene Chemical and Physical Properties

Names and Identifiers

    • De-O-methylacetovanillochromene
    • 1-(8-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone
    • DE-OMETHYLACETOVANILLOCHROMENE
    • 6-Acetyl-8-hydroxy-2
    • [ "6-Acetyl-8-hydroxy-2", "2-dimethylchromene" ]
    • 1-(8-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
    • FS-8950
    • 67667-62-3
    • 1-(8-HYDROXY-2,2-DIMETHYLCHROMEN-6-YL)ETHANONE
    • 6-acetyl-8-hydroxy-2,2-dimethylchromene
    • 1-(8-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
    • AKOS032948498
    • Inchi: 1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)11(15)7-10/h4-7,15H,1-3H3
    • InChI Key: ZGQPPXFOPXPHJR-UHFFFAOYSA-N
    • SMILES: O1C2C(=CC(C(C)=O)=CC=2C=CC1(C)C)O

Computed Properties

  • Exact Mass: 218.094294304g/mol
  • Monoisotopic Mass: 218.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 319
  • 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: 2.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • PSA: 46.53000
  • LogP: 2.77900

De-O-methylacetovanillochromene Security Information

De-O-methylacetovanillochromene Pricemore >>

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Additional information on De-O-methylacetovanillochromene

Comprehensive Analysis of De-O-methylacetovanillochromene (CAS No. 67667-62-3): Properties, Applications, and Research Insights

De-O-methylacetovanillochromene (CAS No. 67667-62-3) is a specialized organic compound belonging to the chromene family, a class of heterocyclic compounds known for their diverse biological and pharmacological activities. The compound's unique structure, featuring a chromene core modified with acetovanillone and de-O-methylation, has garnered significant interest in medicinal chemistry and natural product research. Its molecular formula and structural characteristics make it a promising candidate for exploring novel therapeutic applications, particularly in the context of oxidative stress modulation and inflammation regulation.

Recent studies have highlighted the potential of De-O-methylacetovanillochromene as a bioactive molecule. Researchers are increasingly focusing on its interactions with cellular pathways, such as NF-κB signaling and antioxidant response elements, which are critical in conditions like chronic inflammation and neurodegenerative diseases. This aligns with growing public interest in natural-derived compounds for holistic health and disease prevention, as evidenced by trending searches for "natural anti-inflammatory agents" and "plant-based bioactive molecules." The compound's structural resemblance to flavonoids, a well-studied class of phytonutrients, further enhances its appeal in the nutraceutical sector.

From a synthetic perspective, 67667-62-3 presents intriguing challenges and opportunities for organic chemists. Its synthesis often involves multi-step reactions, including Claisen-Schmidt condensation and cyclization techniques, which are frequently searched topics among chemistry students and professionals. The compound's chromophore properties also make it relevant in material science, particularly in the development of fluorescent probes for biological imaging—a hot topic in biotechnology forums and academic circles.

In the realm of analytical chemistry, De-O-methylacetovanillochromene requires advanced characterization techniques such as HPLC-MS and NMR spectroscopy, which are commonly searched by laboratory technicians. Its stability under various pH conditions and solubility profiles are frequently discussed in pharmaceutical formulation communities, reflecting industry demand for drug delivery optimization strategies. These technical aspects contribute to the compound's versatility in research applications.

Environmental scientists have also shown interest in 67667-62-3 due to its potential biodegradability and eco-friendly derivatives, aligning with global trends in green chemistry. Questions about its structure-activity relationship (SAR) frequently appear in academic search queries, underscoring the need for detailed mechanistic studies. This interdisciplinary relevance positions De-O-methylacetovanillochromene as a compound bridging medicinal chemistry, materials science, and environmental studies.

As research progresses, De-O-methylacetovanillochromene continues to attract attention for its structure-activity relationships and potential synergistic effects with other bioactive compounds. The increasing volume of searches for "chromene derivatives benefits" and "natural compound drug discovery" reflects this growing interest. Future studies may explore its molecular docking potential with therapeutic targets, a topic gaining traction in computational chemistry circles.

In conclusion, De-O-methylacetovanillochromene (CAS No. 67667-62-3) represents a fascinating intersection of natural product chemistry and modern drug development. Its multifaceted applications—from pharmacological research to material innovation—make it a compound worthy of continued investigation. As scientific communities increasingly value multi-target therapeutics and sustainable chemistry, this compound's relevance is likely to expand further in coming years.

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