Cas no 39755-14-1 (7-OXO-7-PHENYLHEPTANENITRILE)

7-OXO-7-PHENYLHEPTANENITRILE structure
7-OXO-7-PHENYLHEPTANENITRILE structure
Product Name:7-OXO-7-PHENYLHEPTANENITRILE
CAS No:39755-14-1
MF:C13H15NO
MW:201.264303445816
MDL:MFCD02260533
CID:889924
Update Time:2026-04-29

7-OXO-7-PHENYLHEPTANENITRILE Chemical and Physical Properties

Names and Identifiers

    • 7-OXO-7-PHENYLHEPTANENITRILE
    • 6-benzoylhexanenitrile
    • 6-cyano-1-phenylhexan-1-one
    • MDL: MFCD02260533
    • Inchi: InChI=1S/C13H15NO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10H2
    • InChI Key: GXMMCBBHGTZCKS-UHFFFAOYSA-N
    • SMILES: C(CCC#N)CCC(=O)C1=CC=CC=C1

Computed Properties

  • Exact Mass: 201.11500
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6

Experimental Properties

  • PSA: 40.86000
  • LogP: 3.34338

7-OXO-7-PHENYLHEPTANENITRILE Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

7-OXO-7-PHENYLHEPTANENITRILE Pricemore >>

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€469.20 2025-03-19
abcr
AB363646-2g
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7-OXO-7-PHENYLHEPTANENITRILE Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:39755-14-1)7-OXO-7-PHENYLHEPTANENITRILE
Order Number:A1158125
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:44
Price ($):176.0/529.0

Additional information on 7-OXO-7-PHENYLHEPTANENITRILE

Professional Introduction to Compound with CAS No. 39755-14-1 and Product Name: 7-OXO-7-PHENYLHEPTANENITRILE

7-OXO-7-PHENYLHEPTANENITRILE, identified by the Chemical Abstracts Service Number (CAS No.) 39755-14-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of nitriles and features a unique structural framework that includes a phenyl group and a 7-oxo side chain, making it a versatile intermediate in synthetic chemistry. The presence of these functional groups imparts distinct chemical properties that make it valuable for various applications, particularly in the development of bioactive molecules.

The structure of 7-OXO-7-PHENYLHEPTANENITRILE consists of a seven-carbon chain with an oxo group at the seventh position and a phenyl ring attached to the same carbon. This configuration contributes to its reactivity and potential utility in constructing more complex molecular architectures. In recent years, there has been growing interest in exploring the pharmacological potential of this compound, driven by advancements in computational chemistry and high-throughput screening techniques.

One of the most compelling aspects of 7-OXO-7-PHENYLHEPTANENITRILE is its role as a building block in the synthesis of pharmacologically active agents. Researchers have leveraged its structural features to develop novel compounds with therapeutic properties. For instance, derivatives of this molecule have been investigated for their potential in modulating enzyme activity, particularly those involved in metabolic pathways relevant to inflammation and neurodegeneration. The phenyl group enhances lipophilicity, while the 7-oxo side chain introduces electrophilic centers that can participate in further functionalization.

Recent studies have highlighted the compound's significance in drug discovery pipelines. Computational modeling has suggested that modifications to the nitrile group or the phenyl ring could yield derivatives with enhanced binding affinity to target proteins. These insights have guided experimental efforts aimed at optimizing lead compounds for clinical development. Additionally, the compound's stability under various conditions makes it an attractive candidate for industrial-scale synthesis, ensuring consistency in quality for research and commercial applications.

The synthetic pathways for preparing 7-OXO-7-PHENYLHEPTANENITRILE have been refined over time, incorporating modern catalytic methods that improve yield and reduce byproduct formation. Transition metal-catalyzed reactions, such as palladium-catalyzed cross-coupling, have been particularly effective in constructing the desired carbon-carbon bonds efficiently. These advances underscore the compound's importance not only as a target molecule but also as a tool for developing new synthetic methodologies.

In the realm of medicinal chemistry, 7-OXO-7-PHENYLHEPTANENITRILE has been explored for its potential role in addressing neurological disorders. Preclinical data indicate that certain derivatives exhibit neuroprotective effects by interacting with receptors and ion channels implicated in conditions such as Alzheimer's disease and Parkinson's disease. The oxo group, being electron-withdrawing, influences electronic properties critical for receptor binding, while the overall hydrophobic nature enhances membrane permeability.

The compound's versatility extends to its utility as an intermediate in agrochemical research. Researchers are investigating its incorporation into novel pesticides designed to target specific enzymatic pathways in pests while minimizing environmental impact. This aligns with global efforts to develop sustainable agricultural practices without compromising efficacy.

From a regulatory perspective, ensuring compliance with safety standards is paramount when handling 39755-14-1. While not classified as hazardous under standard definitions, proper handling protocols must be followed to mitigate any potential risks associated with organic nitriles during synthesis or application. Documentation of synthesis routes, purity specifications, and stability data are essential components of regulatory submissions for new chemical entities derived from this precursor.

The future prospects for 7-OXO-7-PHENYLHEPTANENITRILE appear promising, with ongoing research expanding its applications across multiple domains. Collaborative efforts between academia and industry are likely to accelerate discoveries by combining experimental expertise with cutting-edge computational tools. As our understanding of molecular interactions deepens, compounds like this will continue to play a pivotal role in shaping next-generation therapeutics and materials.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:39755-14-1)7-OXO-7-PHENYLHEPTANENITRILE
A1158125
Purity:99%/99%
Quantity:1g/5g
Price ($):176.0/529.0
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