Cas no 1194700-73-6 (5-Hydroxy-4-methylisobenzofuran-1(3H)-one)

5-Hydroxy-4-methylisobenzofuran-1(3H)-one is a heterocyclic organic compound featuring a fused isobenzofuranone core with hydroxyl and methyl substituents. This structure imparts unique reactivity, making it a valuable intermediate in synthetic organic chemistry, particularly for the construction of complex heterocycles and functionalized aromatic systems. Its hydroxyl group enhances solubility in polar solvents, facilitating further derivatization, while the methyl group contributes to steric and electronic modulation. The compound is of interest in pharmaceutical and agrochemical research due to its potential as a precursor for bioactive molecules. High purity grades ensure reproducibility in synthetic applications.
5-Hydroxy-4-methylisobenzofuran-1(3H)-one structure
1194700-73-6 structure
Product Name:5-Hydroxy-4-methylisobenzofuran-1(3H)-one
CAS No:1194700-73-6
MF:C9H8O3
MW:164.158022880554
MDL:MFCD24729793
CID:2192958
PubChem ID:66643957
Update Time:2025-05-25

5-Hydroxy-4-methylisobenzofuran-1(3H)-one Chemical and Physical Properties

Names and Identifiers

    • 5-Hydroxy-4-methylisobenzofuran-1(3h)-one
    • 5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one
    • 5-hydroxy-4-methyl-3H-isobenzofuran-1-one
    • XCLSUJASPNFYRV-UHFFFAOYSA-N
    • FCH2051492
    • AK475524
    • 5-hydroxy-4-methyl-3H-2-benzofuran-1-one
    • 1194700-73-6
    • SB31635
    • DS-18875
    • AKOS027423901
    • CS-0028397
    • SCHEMBL286648
    • MFCD24729793
    • DA-14694
    • AC-30752
    • s10489
    • 5-Hydroxy-4-methylisobenzofuran-1(3H)-one
    • MDL: MFCD24729793
    • Inchi: 1S/C9H8O3/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3,10H,4H2,1H3
    • InChI Key: XCLSUJASPNFYRV-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC(=C(C)C=2C1)O)=O

Computed Properties

  • Exact Mass: 164.047344113g/mol
  • Monoisotopic Mass: 164.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 202
  • 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: 46.5
  • XLogP3: 1.4

5-Hydroxy-4-methylisobenzofuran-1(3H)-one Security Information

5-Hydroxy-4-methylisobenzofuran-1(3H)-one Pricemore >>

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Additional information on 5-Hydroxy-4-methylisobenzofuran-1(3H)-one

5-Hydroxy-4-methylisobenzofuran-1(3H)-one: A Comprehensive Overview

5-Hydroxy-4-methylisobenzofuran-1(3H)-one, also known by its CAS number 1194700-73-6, is a fascinating compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and natural product research. This compound belongs to the class of isobenzofuranones, which are known for their unique structural features and diverse biological activities. Recent studies have shed light on its potential applications in drug discovery and as a bioactive agent in various therapeutic areas.

The structure of 5-Hydroxy-4-methylisobenzofuran-1(3H)-one consists of a fused bicyclic system with a hydroxyl group at position 5 and a methyl group at position 4. This arrangement imparts the molecule with a high degree of rigidity and conjugation, which are key factors in determining its chemical reactivity and biological properties. Researchers have explored its synthesis through various routes, including oxidative coupling and cyclization reactions, with recent advancements focusing on enantioselective synthesis to access chiral derivatives.

One of the most compelling aspects of 5-Hydroxy-4-methylisobenzofuran-1(3H)-one is its demonstrated bioactivity. Studies have shown that this compound exhibits potent anti-inflammatory and antioxidant properties, making it a promising candidate for the development of novel therapeutics. For instance, recent research has highlighted its ability to inhibit pro-inflammatory cytokines such as TNF-alpha and IL-6, which are key players in chronic inflammatory diseases like arthritis and cardiovascular disorders.

In addition to its pharmacological potential, 5-Hydroxy-4-methylisobenzofuran-1(3H)-one has also been investigated for its role in natural product synthesis. It serves as a valuable building block for constructing more complex molecules with enhanced bioactivity. For example, chemists have successfully utilized this compound as an intermediate in the total synthesis of several bioactive natural products, demonstrating its versatility in organic synthesis.

The latest research on CAS No 1194700-73-6 has also delved into its mechanism of action at the molecular level. Advanced techniques such as X-ray crystallography and molecular docking have provided insights into how this compound interacts with target proteins, paving the way for rational drug design strategies. These findings underscore the importance of understanding the structural basis of bioactivity when developing new therapeutic agents.

Moreover, the environmental impact and sustainability aspects of synthesizing 5-Hydroxy-4-methylisobenzofuran-1(3H)-one have been increasingly considered in recent studies. Green chemistry approaches, including the use of renewable feedstocks and catalytic systems, have been explored to minimize waste and energy consumption during its production. This aligns with global efforts to promote sustainable practices in chemical manufacturing.

In conclusion, 5-Hydroxy-4-methylisobenzofuran-1(3H)-one, or CAS No 1194700-73-6, represents a versatile and bioactive compound with wide-ranging applications in drug discovery and organic synthesis. Its unique structural features, coupled with emerging insights into its biological mechanisms and sustainable synthesis methods, position it as a valuable tool in advancing modern medicinal chemistry.

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