Cas no 39917-38-9 (1-(3-hydroxyadamantan-1-yl)ethan-1-one)

1-(3-Hydroxyadamantan-1-yl)ethan-1-one is a functionalized adamantane derivative characterized by its unique structural features, including a hydroxyl group at the 3-position and a ketone moiety at the 1-position of the adamantane framework. This compound is of interest in synthetic and medicinal chemistry due to the rigidity and stability imparted by the adamantane core, as well as the reactivity of its functional groups. The hydroxyl group enhances solubility and provides a handle for further derivatization, while the ketone offers versatility in chemical transformations. Its well-defined stereochemistry and potential as a building block for pharmaceuticals or advanced materials make it a valuable intermediate in research and industrial applications.
1-(3-hydroxyadamantan-1-yl)ethan-1-one structure
39917-38-9 structure
Product Name:1-(3-hydroxyadamantan-1-yl)ethan-1-one
CAS No:39917-38-9
MF:C12H18O2
MW:194.270123958588
MDL:MFCD03147416
CID:55124
PubChem ID:591896
Update Time:2025-05-24

1-(3-hydroxyadamantan-1-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Hydroxyadamantan-1-yl)ethanone
    • 1-(3-hydroxy-1-adamantyl)ethanone
    • 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE
    • 1-(3-hydroxy-1-adamantyl)ethanone(SALTDATA: FREE)
    • 1-acetyl-3-adamantanol
    • 1-acetyl-3-hydroxyadamantane
    • 1-hydroxy-3-acetyladamantane
    • 3-Acetyladamantan-1-ol
    • 3-hydroxy-1-adamantanyl ketone
    • 3-hydroxy-1-adamantyl methyl ketone
    • 1-(3-hydroxyadamantan-1-yl)ethan-1-one
    • Z56867220
    • DTXSID50343737
    • 39917-38-9
    • SB85240
    • AKOS016844272
    • F2110-0010
    • BP-10443
    • 1-(3-Hydroxy-1-adamantyl)ethanone #
    • CS-0272107
    • 3-Hydroxy-1-Acetyladamantane
    • AKOS000116379
    • SCHEMBL5346781
    • EN300-03264
    • FT-0736201
    • Ethanone, 1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-
    • DB-003104
    • MDL: MFCD03147416
    • Inchi: 1S/C12H18O2/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h9-10,14H,2-7H2,1H3
    • InChI Key: ISGGLYJERYAKTR-UHFFFAOYSA-N
    • SMILES: OC12CC3CC(C1)CC(C(C)=O)(C3)C2

Computed Properties

  • Exact Mass: 194.13100
  • Monoisotopic Mass: 194.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 281
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.235
  • Boiling Point: 303°C at 760 mmHg
  • Flash Point: 127.9°C
  • Refractive Index: 1.586
  • PSA: 37.30000
  • LogP: 1.90670

1-(3-hydroxyadamantan-1-yl)ethan-1-one Customs Data

  • HS CODE:2914400090
  • Customs Data:

    China Customs Code:

    2914400090

    Overview:

    2914400090 Other ketone alcohols and ketone aldehydes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914400090 other ketone-alcohols and ketone-aldehydes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

1-(3-hydroxyadamantan-1-yl)ethan-1-one Pricemore >>

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Additional information on 1-(3-hydroxyadamantan-1-yl)ethan-1-one

CAS No 39917-38-9: 1-(3-Hydroxyadamantan-1-yl)ethan-1-one

The compound CAS No 39917-38-9, also known as 1-(3-hydroxyadamantan-1-yl)ethan-1-one, is a unique organic molecule with significant applications in various scientific and industrial fields. This compound belongs to the class of ketones and features a complex structure incorporating an adamantane moiety, which is a diamondoid hydrocarbon with a highly rigid and stable framework. The presence of the hydroxyl group (-OH) at the 3-position of the adamantane ring adds functional diversity, making this compound particularly interesting for researchers in the fields of materials science, pharmacology, and organic synthesis.

Recent studies have highlighted the potential of CAS No 39917-38-9 in drug delivery systems due to its unique solubility properties and biocompatibility. Researchers have explored its ability to act as a carrier for hydrophobic drugs, leveraging its rigid structure to enhance drug stability and controlled release profiles. This has opened new avenues for its application in targeted therapies, particularly in cancer treatment, where precise drug delivery is crucial.

In addition to its pharmaceutical applications, 1-(3-hydroxyadamantan-1-yl)ethan-1-one has shown promise in the development of advanced materials. Its adamantane core provides exceptional mechanical strength and thermal stability, making it a candidate for high-performance polymers and composites. Recent advancements in polymer chemistry have demonstrated how this compound can be integrated into polymer networks to enhance their mechanical properties without compromising flexibility.

The synthesis of CAS No 39917-38-9 involves a multi-step process that typically begins with the preparation of the adamantane derivative followed by selective oxidation or substitution reactions to introduce the ketone group. Recent innovations in catalytic methods have improved the efficiency of these reactions, reducing production costs and environmental impact. These developments have made large-scale production more feasible, paving the way for broader industrial adoption.

From a structural perspective, CAS No 39917-38-9 exhibits a fascinating balance between rigidity and functionality. The adamantane framework ensures structural integrity, while the hydroxyl and ketone groups provide sites for further chemical modification. This dual nature makes it an ideal building block for designing complex molecules with tailored properties. For instance, researchers have utilized it as a precursor for synthesizing advanced catalysts with enhanced activity and selectivity in organic transformations.

Furthermore, CAS No 39917-38-9 has been investigated for its potential in energy storage applications. Its unique electronic properties make it a candidate for use in lithium-ion batteries as an electrolyte additive or as part of composite electrode materials. Recent studies have shown that incorporating this compound into battery components can improve charge-discharge efficiency and cycle stability, addressing some of the key challenges in modern energy storage systems.

In conclusion, CAS No 39917-38-9 (1-(3-hydroxyadamantan-1-y l)ethan-one) is a versatile compound with diverse applications across multiple disciplines. Its unique structure, combined with recent advancements in synthesis and application development, positions it as a valuable tool for addressing contemporary scientific and technological challenges. As research continues to uncover new potentials for this compound, its role in shaping future innovations is expected to grow significantly.

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