Cas no 98879-99-3 (6-methoxy-2(3H)-Benzofuranone)

6-Methoxy-2(3H)-Benzofuranone is a heterocyclic organic compound featuring a benzofuranone core substituted with a methoxy group at the 6-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its lactone functionality enables participation in ring-opening reactions, while the methoxy group enhances electron density, facilitating electrophilic substitutions. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Its versatility allows for derivatization into more complex frameworks, particularly in the development of bioactive molecules. High purity grades are available to meet rigorous research and industrial demands.
6-methoxy-2(3H)-Benzofuranone structure
6-methoxy-2(3H)-Benzofuranone structure
Product Name:6-methoxy-2(3H)-Benzofuranone
CAS No:98879-99-3
MF:C9H8O3
MW:164.158022880554
CID:1123630
PubChem ID:10057852
Update Time:2025-08-05

6-methoxy-2(3H)-Benzofuranone Chemical and Physical Properties

Names and Identifiers

    • 6-methoxy-2(3H)-Benzofuranone
    • 6-Methoxy-2-benzofuran-1(3H)-one
    • 6-METHOXY-3H-ISOBENZOFURAN-1-ONE
    • FT-0695958
    • 6-methoxybenzofuran-2(3H)-one
    • SCHEMBL14495775
    • AKOS006304262
    • 6-methoxy-3H-1-benzofuran-2-one
    • SY356415
    • MFCD09999129
    • 98879-99-3
    • G70866
    • DB-383791
    • Inchi: 1S/C9H8O3/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-3,5H,4H2,1H3
    • InChI Key: FIFRRVYYUYNRPF-UHFFFAOYSA-N
    • SMILES: O1C(CC2C=CC(=CC1=2)OC)=O

Computed Properties

  • Exact Mass: 164.047344113g/mol
  • Monoisotopic Mass: 164.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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: 1.3
  • Topological Polar Surface Area: 35.5?2

6-methoxy-2(3H)-Benzofuranone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB601064-1g
6-Methoxybenzofuran-2(3H)-one; .
98879-99-3
1g
€105.70 2025-04-14
abcr
AB601064-5g
6-Methoxybenzofuran-2(3H)-one; .
98879-99-3
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€199.60 2025-04-14
abcr
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$443.00 2024-04-19
1PlusChem
1P024YW9-100g
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Ambeed
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Additional information on 6-methoxy-2(3H)-Benzofuranone

Introduction to 6-methoxy-2(3H)-Benzofuranone (CAS No. 98879-99-3) in Modern Chemical Research

6-methoxy-2(3H)-Benzofuranone, identified by the Chemical Abstracts Service Number (CAS No.) 98879-99-3, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and chemical biology due to its unique structural and functional properties. This compound belongs to the benzofuranone class, characterized by a fused benzene ring and a furanone moiety, which together contribute to its diverse reactivity and biological potential. The presence of a methoxy group at the 6-position enhances its electronic properties, making it a valuable scaffold for synthetic applications and drug discovery.

The benzofuranone core is a privileged structure in medicinal chemistry, known for its ability to modulate various biological pathways. In recent years, researchers have explored the pharmacological profile of 6-methoxy-2(3H)-Benzofuranone and its derivatives, uncovering promising activities in areas such as anti-inflammatory, antioxidant, and anticancer therapies. The compound’s ability to interact with biological targets like enzymes and receptors stems from its aromatic system and the electron-withdrawing nature of the furanone ring.

One of the most compelling aspects of 6-methoxy-2(3H)-Benzofuranone is its synthetic versatility. The benzofuranone scaffold can be easily modified through various chemical transformations, including nucleophilic substitution, cyclization reactions, and functional group interconversions. These modifications have enabled the development of a library of derivatives with tailored biological activities. For instance, studies have demonstrated that structural analogs of 6-methoxy-2(3H)-Benzofuranone exhibit inhibitory effects on key enzymes involved in inflammation, such as lipoxygenase and cyclooxygenase.

Recent advancements in computational chemistry have further enhanced the understanding of 6-methoxy-2(3H)-Benzofuranone’s interactions with biological targets. Molecular docking simulations have been employed to predict binding affinities and identify potential binding pockets on target proteins. These studies have provided insights into how the methoxy group influences the compound’s binding mode, thereby guiding the design of more potent and selective derivatives.

In the realm of drug discovery, 6-methoxy-2(3H)-Benzofuranone has been investigated as a lead compound for developing novel therapeutic agents. Its structural features make it an attractive candidate for modulating pathways associated with neurodegenerative diseases, such as Alzheimer’s disease and Parkinson’s disease. Preliminary studies have shown that certain derivatives of 6-methoxy-2(3H)-Benzofuranone can cross the blood-brain barrier and exert neuroprotective effects by scavenging reactive oxygen species and inhibiting protease activity.

The role of 6-methoxy-2(3H)-Benzofuranone in chemical biology extends beyond its pharmacological applications. The compound has been utilized as an intermediate in synthetic organic chemistry for constructing more complex molecules. Its reactivity allows for the facile introduction of diverse functional groups, making it a valuable building block in multi-step syntheses. Additionally, the benzofuranone core has been incorporated into polymers and materials with specialized properties, such as fluorescence emission or catalytic activity.

Environmental science has also benefited from research involving 6-methoxy-2(3H)-Benzofuranone. Studies have explored its degradation pathways and ecological impact under various environmental conditions. Understanding these processes is crucial for assessing the sustainability of using such compounds in industrial applications and ensuring their safe disposal.

The future prospects for 6-methoxy-2(3H)-Benzofuranone are promising, with ongoing research focusing on expanding its applications in drug development and material science. Innovations in synthetic methodologies are expected to yield new derivatives with enhanced efficacy and reduced toxicity. Furthermore, interdisciplinary approaches combining organic chemistry, biochemistry, and computational modeling will continue to drive discoveries related to this versatile compound.

In conclusion,6-methoxy-2(3H)-Benzofuranone (CAS No. 98879-99-3) represents a significant advancement in chemical research due to its multifaceted applications across pharmaceuticals, materials science, and environmental studies. Its unique structural features and synthetic flexibility make it a cornerstone compound for innovation in multiple scientific domains.

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