Cas no 10504-05-9 (2-Isopropyl-5-methylfuran)

2-Isopropyl-5-methylfuran is a heterocyclic organic compound characterized by its furan ring substituted with isopropyl and methyl groups. This compound is notable for its role as an intermediate in organic synthesis, particularly in the production of flavor and fragrance compounds. Its structural features contribute to its stability and reactivity, making it suitable for use in specialized chemical reactions. The compound exhibits low volatility and moderate solubility in common organic solvents, facilitating its handling in laboratory and industrial settings. Its distinct molecular structure also lends itself to applications in agrochemical and pharmaceutical research, where furan derivatives are often utilized for their functional versatility.
2-Isopropyl-5-methylfuran structure
2-Isopropyl-5-methylfuran structure
Product Name:2-Isopropyl-5-methylfuran
CAS No:10504-05-9
MF:C8H12O
MW:124.180282592773
CID:1092573
PubChem ID:10678230
Update Time:2025-06-09

2-Isopropyl-5-methylfuran Chemical and Physical Properties

Names and Identifiers

    • 2-Isopropyl-5-methylfuran
    • 2-methyl-5-propan-2-ylfuran
    • 2-methyl-5-propan-2-yl-furan
    • DTXSID50443302
    • Furan, 2-methyl-5-(1-methylethyl)-
    • 7EM83HW6FG
    • JYOVNNBTWWYRGU-UHFFFAOYSA-N
    • AKOS015905504
    • 2-methyl-5-propan-2-yluran
    • 2-methyl-5-(propan-2-yl)furan
    • 2-Methyl-5-i-propylfuran
    • CHEBI:195670
    • SCHEMBL2596762
    • 2-Methyl-5-(1-methylethyl)furan
    • 2-Methyl-5-isopropyl furan
    • 10504-05-9
    • Inchi: 1S/C8H12O/c1-6(2)8-5-4-7(3)9-8/h4-6H,1-3H3
    • InChI Key: JYOVNNBTWWYRGU-UHFFFAOYSA-N
    • SMILES: CC(C1OC(C)=CC=1)C

Computed Properties

  • Exact Mass: 124.08886
  • Monoisotopic Mass: 124.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 88.6
  • 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: 2.5
  • Topological Polar Surface Area: 13.1?2

Experimental Properties

  • PSA: 13.14

2-Isopropyl-5-methylfuran Pricemore >>

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Additional information on 2-Isopropyl-5-methylfuran

Professional Introduction to Compound with CAS No. 10504-05-9 and Product Name: 2-Isopropyl-5-methylfuran

The compound with the CAS number 10504-05-9 and the product name 2-Isopropyl-5-methylfuran represents a significant area of interest in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique molecular structure, has garnered attention due to its potential applications in various chemical synthesis processes and as a precursor in the development of novel bioactive molecules.

2-Isopropyl-5-methylfuran is an oxygenated heterocyclic compound that belongs to the class of furans. Its molecular formula, C?H??O, reflects a relatively simple yet versatile structure, which makes it a valuable intermediate in synthetic chemistry. The presence of both isopropyl and methyl substituents on the furan ring introduces specific electronic and steric properties that can be exploited in designing molecules with tailored biological activities.

In recent years, there has been a growing interest in furan derivatives due to their diverse pharmacological properties. Studies have demonstrated that compounds containing the furan moiety can exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and antioxidant effects. The structural flexibility of 2-Isopropyl-5-methylfuran allows for further functionalization, making it a promising candidate for the synthesis of more complex molecules with enhanced therapeutic potential.

One of the most compelling aspects of 2-Isopropyl-5-methylfuran is its role as a building block in the synthesis of pharmacologically active compounds. Researchers have utilized this compound to develop novel drugs targeting various diseases. For instance, recent studies have shown that derivatives of furans can interact with specific enzymes and receptors, modulating biological pathways associated with metabolic disorders and neurological diseases. The ability to modify the furan ring at different positions allows chemists to fine-tune the properties of these derivatives, leading to more effective and selective therapeutic agents.

The synthesis of 2-Isopropyl-5-methylfuran itself is an intriguing process that showcases modern organic synthesis techniques. Traditional methods often involve multi-step reactions starting from readily available precursors such as 5-methylfurfural. Advanced catalytic processes have been developed to improve yield and selectivity, reducing the environmental impact of these synthetic routes. These advancements are crucial in aligning chemical production with sustainable practices, ensuring that the demand for such intermediates does not come at the cost of environmental degradation.

Moreover, the applications of 2-Isopropyl-5-methylfuran extend beyond pharmaceuticals into other areas such as agrochemicals and materials science. In agrochemistry, furan derivatives have been explored for their potential as pesticides and herbicides due to their ability to interact with biological targets in pests while minimizing harm to non-target organisms. In materials science, these compounds can be incorporated into polymers and coatings to enhance their durability and functionality.

The chemical reactivity of 2-Isopropyl-5-methylfuran is another key aspect that makes it valuable in synthetic chemistry. The presence of the electron-deficient furan ring facilitates various reactions such as nucleophilic addition, oxidation, and coupling reactions. These reactions are fundamental in constructing more complex molecular architectures and have been leveraged in cross-coupling reactions like Suzuki-Miyaura and Heck couplings, which are pivotal in modern drug discovery.

Recent research has also highlighted the importance of understanding the stereochemistry of furan derivatives. The stereochemical configuration at the carbon atoms adjacent to the oxygen atom can significantly influence the biological activity of these compounds. Therefore, advances in asymmetric synthesis have enabled chemists to produce enantiomerically pure forms of 2-Isopropyl-5-methylfuran, opening up new avenues for developing enantioselective drugs.

In conclusion, 2-Isopropyl-5-methylfuran (CAS No. 10504-05-9) is a versatile compound with significant potential in pharmaceutical research and industrial applications. Its unique structure and reactivity make it an invaluable intermediate for synthesizing bioactive molecules with diverse therapeutic applications. As research continues to uncover new ways to utilize this compound, its importance in advancing chemical synthesis and drug development is likely to grow even further.

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