Cas no 898772-78-6 ((4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone)

(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone is a specialized organic compound featuring a cyclohexylbutyl chain linked to a thienyl ketone moiety with a dioxolane-protected carbonyl group. This structure offers versatility as an intermediate in synthetic organic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The dioxolane group enhances stability under reactive conditions, while the thienyl ketone scaffold provides a reactive site for further functionalization. Its hydrophobic cyclohexylbutyl tail may improve solubility in nonpolar media, facilitating applications in lipophilic systems. The compound’s well-defined reactivity profile makes it valuable for controlled synthetic transformations, including cross-coupling and nucleophilic addition reactions.
(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone structure
898772-78-6 structure
Product Name:(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone
CAS No:898772-78-6
MF:C18H26O3S
MW:322.462244510651
MDL:MFCD07699104
CID:869973
PubChem ID:24723466
Update Time:2025-06-14

(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Chemical and Physical Properties

Names and Identifiers

    • 5-cyclohexyl-1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]pentan-1-one
    • (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone
    • MS-21550
    • AKOS016018654
    • MFCD07699104
    • (4-CYCLOHEXYL)BUTYL5-(1,3-DIOXOLAN-2-YL)-2-THIENYLKETONE
    • 898772-78-6
    • DTXSID90641906
    • MDL: MFCD07699104
    • Inchi: 1S/C18H26O3S/c19-15(9-5-4-8-14-6-2-1-3-7-14)16-10-11-17(22-16)18-20-12-13-21-18/h10-11,14,18H,1-9,12-13H2
    • InChI Key: PQDBYMKQNHOEGZ-UHFFFAOYSA-N
    • SMILES: S1C(=CC=C1C(CCCCC1CCCCC1)=O)C1OCCO1

Computed Properties

  • Exact Mass: 322.16000
  • Monoisotopic Mass: 322.16026586g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 348
  • 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: 5.2
  • Topological Polar Surface Area: 63.8?2

Experimental Properties

  • PSA: 63.77000
  • LogP: 5.11690

(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone Pricemore >>

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abcr
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(4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone, 97%; .
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abcr
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Additional information on (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone

Comprehensive Overview of (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone (CAS No. 898772-78-6)

The compound (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone (CAS No. 898772-78-6) is a specialized organic molecule with a unique structural framework, combining a cyclohexyl moiety, a butyl chain, and a thienyl ketone group protected by a 1,3-dioxolane ring. This intricate architecture makes it a valuable intermediate in pharmaceutical and material science research. Its CAS number 898772-78-6 serves as a critical identifier for researchers and regulatory bodies, ensuring precise tracking in chemical databases.

In recent years, the demand for heterocyclic ketones like this compound has surged due to their applications in drug discovery and functional materials. The thienyl ketone segment, in particular, is pivotal for designing bioactive molecules, while the 1,3-dioxolane group offers stability under synthetic conditions. Users frequently search for terms such as "synthesis of thienyl ketones" or "applications of cyclohexyl derivatives," reflecting growing interest in its utility. This aligns with trends in green chemistry, where researchers seek efficient routes to synthesize such compounds with minimal environmental impact.

The (4-Cyclohexyl)butyl side chain enhances the molecule's lipophilicity, a property often explored in medicinal chemistry to improve drug bioavailability. Discussions on platforms like ResearchGate and PubMed highlight queries about "ketone protection strategies" and "cyclohexyl-based scaffolds," underscoring its relevance. Additionally, the compound’s potential in OLED materials and catalysis is a hot topic, as industries seek sustainable alternatives for electronic devices.

From a synthetic chemistry perspective, the CAS 898772-78-6 compound exemplifies modular design, allowing derivatization at multiple sites. Lab protocols often emphasize its handling under anhydrous conditions due to the dioxolane group's sensitivity. Analytical techniques like NMR and HPLC are crucial for characterizing its purity, a common concern among purchasers searching for "high-purity thienyl ketone suppliers."

In summary, (4-Cyclohexyl)butyl 5-(1,3-dioxolan-2-yl)-2-thienyl ketone bridges gaps between academia and industry, addressing needs in drug development and advanced materials. Its CAS No. 898772-78-6 ensures traceability, while its structural versatility keeps it at the forefront of organic synthesis innovations. As searches for "custom ketone synthesis" and "cyclohexyl derivatives in pharmaceuticals" rise, this compound’s significance continues to grow.

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