Cas no 62036-49-1 (4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one)

4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one is a substituted coumarin derivative with potential applications in pharmaceutical and chemical research. Its structural features, including the ethyl and methyl substituents along with the hydroxyl group, contribute to its unique reactivity and biological activity. This compound may serve as a key intermediate in synthesizing more complex molecules or as a scaffold for studying structure-activity relationships. Its well-defined molecular structure allows for precise modifications, making it valuable for exploratory studies in medicinal chemistry. The presence of the hydroxyl group enhances its solubility in polar solvents, facilitating further derivatization. Analytical characterization is supported by standard techniques such as NMR and HPLC.
4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one structure
62036-49-1 structure
Product Name:4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one
CAS No:62036-49-1
MF:C12H12O3
MW:204.221883773804
MDL:MFCD02080280
CID:460007
PubChem ID:5308898
Update Time:2025-06-22

4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 4-ethyl-5-hydroxy-7-methyl-
    • 4-Aethyl-7-methyl-5-hydroxycumarin
    • 4-ethyl-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
    • 4-ethyl-5-hydroxy-7-methyl-chromen-2-one
    • AC1NSFQJ
    • Ambcb6141880
    • CBMicro_001724
    • CTK2C8346
    • HMS2266I03
    • Oprea1_673635
    • MDL: MFCD02080280
    • Inchi: 1S/C12H12O3/c1-3-8-6-11(14)15-10-5-7(2)4-9(13)12(8)10/h4-6,13H,3H2,1-2H3
    • InChI Key: BGKWMMAJZNSSGJ-UHFFFAOYSA-N
    • SMILES: O1C(C=C(CC)C2C(=CC(C)=CC1=2)O)=O

Computed Properties

  • Exact Mass: 204.07866
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1

Experimental Properties

  • PSA: 46.53

4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one Security Information

  • HazardClass:IRRITANT

4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one Pricemore >>

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Additional information on 4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one

Introduction to 4-Ethyl-5-Hydroxy-7-Methyl-2H-Chromen-2-One (CAS No. 62036-49-1)

4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-one, commonly referred to by its CAS number 62036-49, is a structurally unique compound belonging to the chromene family. Chromenes are a class of organic compounds characterized by a fused benzene and gamma-pyrone ring system, which imparts them with a wide range of biological activities. This compound, in particular, has garnered significant attention due to its potential applications in the fields of pharmacology, food science, and cosmetics.

The molecular structure of 4-Ethyl-5-hydroxy-7-methyl is notable for its substituted chromenone skeleton. The presence of an ethyl group at position 4, a hydroxyl group at position 5, and a methyl group at position 7 contributes to its distinct chemical properties. These substituents not only influence the compound's solubility and stability but also play a crucial role in its bioavailability and pharmacokinetics.

Recent studies have highlighted the antioxidant properties of 4-Ethyl-related compounds, making them promising candidates for use in food preservatives and cosmetic formulations. The hydroxyl group at position 5 is particularly significant as it enhances the compound's ability to scavenge free radicals, thereby protecting cells from oxidative damage. This attribute has led researchers to explore its potential in mitigating age-related diseases and promoting overall health.

In the realm of pharmacology, 5-hydroxy-containing chromenes have shown potential as anti-inflammatory agents. Preclinical studies suggest that this compound may inhibit pro-inflammatory pathways, making it a viable option for treating conditions such as arthritis and inflammatory bowel disease. Furthermore, its methyl group at position 7 enhances lipophilicity, which could improve its absorption across biological membranes.

The synthesis of 7-methyl-substituted chromenes has been optimized through various methodologies, including microwave-assisted synthesis and enzymatic catalysis. These advancements have not only improved yield but also reduced the environmental footprint of production processes. As a result, this compound is now more accessible for large-scale applications in industries such as pharmaceuticals and cosmetics.

In terms of application, 2H-chromen-based compounds are increasingly being incorporated into skincare products due to their UV protective properties. The ethyl group at position 4 enhances the compound's ability to absorb UV radiation, making it an effective ingredient in sunscreens and anti-ageing formulations.

Looking ahead, ongoing research is focused on understanding the molecular mechanisms underlying the biological activities of this compound. Collaborative efforts between chemists and biologists are paving the way for novel therapeutic interventions based on this versatile molecule.

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