Cas no 31706-56-6 (2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-)

3,4-Dihydro-7-methyl-2(1H)-naphthalenone is a bicyclic organic compound featuring a partially hydrogenated naphthalene core with a ketone functional group at the 2-position and a methyl substituent at the 7-position. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly for constructing polycyclic frameworks. The ketone moiety enables diverse transformations, including nucleophilic additions or reductions, while the methyl group enhances selectivity in certain reactions. Its partially saturated ring system offers stability compared to fully aromatic analogs, facilitating controlled modifications. The compound is of interest in pharmaceutical and materials research due to its potential as a precursor for bioactive molecules or functional materials. Its well-defined structure ensures reproducibility in synthetic applications.
2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- structure
31706-56-6 structure
Product Name:2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-
CAS No:31706-56-6
MF:C11H12O
MW:160.212383270264
MDL:MFCD04038682
CID:1448280
PubChem ID:4612840
Update Time:2025-07-02

2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-
    • 7-METHYL-2-TERALONE
    • 7-methyl-3,4-dihydro-1H-naphthalen-2-one
    • 31706-56-6
    • AM9279
    • 7-methyl-2-tetralone
    • MFCD04038682
    • DTXSID80404880
    • AKOS006295667
    • N10443
    • SCHEMBL3847559
    • 7-Methyl-2-tetrarlone
    • 7-methyl-3,4-dihydronaphthalen-2(1H)-one
    • 7-methyl-1,2,3,4-tetrahydronaphthalen-2-one
    • C11H12O
    • MDL: MFCD04038682
    • Inchi: 1S/C11H12O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-3,6H,4-5,7H2,1H3
    • InChI Key: QVEPTNHEDDSLNI-UHFFFAOYSA-N
    • SMILES: O=C1CC2C=C(C)C=CC=2CC1

Computed Properties

  • Exact Mass: 160.08886
  • Monoisotopic Mass: 160.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

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Additional information on 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-

Introduction to 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- (CAS No. 31706-56-6)

2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- (CAS No. 31706-56-6) is a significant compound in the realm of organic chemistry and pharmaceutical research. This molecule, characterized by its naphthalene core with hydroxyl and methyl substituents, has garnered attention due to its versatile structural framework and potential biological activities. The presence of the dihydro moiety and the methyl group at the 7-position imparts unique electronic and steric properties, making it a valuable scaffold for further chemical modifications and functionalization.

The compound belongs to the class of naphthalenone derivatives, which are widely studied for their pharmacological properties. Naphthalenone derivatives have been explored for their roles in various therapeutic applications, including anti-inflammatory, antimicrobial, and anticancer agents. The structural features of 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- make it an attractive candidate for medicinal chemistry investigations.

In recent years, there has been a surge in research focusing on developing novel heterocyclic compounds with potential therapeutic benefits. The naphthalenone scaffold is particularly interesting because it can be easily modified to create a wide range of derivatives with distinct biological activities. For instance, studies have shown that substituents at specific positions on the naphthalenone ring can significantly alter the pharmacokinetic and pharmacodynamic properties of the compound.

One of the most compelling aspects of 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- is its potential as a precursor for more complex molecules. Researchers have leveraged this compound to synthesize novel analogs that exhibit enhanced biological activity. For example, modifications at the 3 and 4 positions have been shown to improve binding affinity to certain biological targets. This has led to the development of new drug candidates that are more potent and selective than their parent compounds.

The synthesis of 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- typically involves multi-step organic reactions that highlight the compound's structural complexity. Advanced synthetic methodologies, such as catalytic hydrogenation and cross-coupling reactions, are often employed to achieve high yields and purity. These synthetic routes not only demonstrate the compound's synthetic utility but also provide insights into its mechanistic properties.

Recent advancements in computational chemistry have further enhanced the understanding of 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-'s behavior. Molecular modeling studies have been instrumental in predicting how different substituents affect the compound's electronic structure and reactivity. These predictions are crucial for designing experiments aimed at optimizing the compound's biological activity.

The pharmaceutical industry has taken note of the potential of naphthalenone derivatives like 2(1H)-Naphthalenone, 3,4-dihydro-7-methyl-. Several companies are currently engaged in developing drugs based on this scaffold. Early-stage clinical trials have shown promising results for certain derivatives in treating various diseases. These findings underscore the importance of continued research into this class of compounds.

In conclusion,2(1H)-Naphthalenone, 3,4-dihydro-7-methyl- (CAS No. 31706-56-6) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features make it an excellent candidate for further chemical modifications and biological studies. As research progresses, this compound is likely to play a crucial role in the development of new therapeutic agents that address unmet medical needs.

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