Cas no 7131-20-6 (3-(1-Adamantyl)but-2-enoic acid)

3-(1-Adamantyl)but-2-enoic acid is a specialized organic compound featuring an adamantyl group attached to an unsaturated carboxylic acid framework. Its unique structure, combining the rigid adamantane core with a reactive α,β-unsaturated carboxyl group, makes it valuable in synthetic chemistry, particularly for applications requiring sterically hindered intermediates or tailored molecular scaffolds. The adamantyl moiety enhances thermal and chemical stability, while the conjugated double bond offers reactivity for further functionalization, such as Michael additions or cycloadditions. This compound is useful in pharmaceutical research, material science, and as a building block for complex organic synthesis. Its properties are carefully characterized to ensure consistency in high-precision applications.
3-(1-Adamantyl)but-2-enoic acid structure
7131-20-6 structure
Product Name:3-(1-Adamantyl)but-2-enoic acid
CAS No:7131-20-6
MF:C14H20O2
MW:220.307404518127
CID:4728611
Update Time:2025-11-02

3-(1-Adamantyl)but-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(adamantan-1-yl)but-2-enoic acid
    • Enamine_005843
    • Oprea1_467835
    • 3-(1-adamantyl)but-2-enoic acid
    • 3-[(3R,5S,7s)-adamantan-1-yl]but-2-enoic acid
    • Z56757129
    • 3-(1-Adamantyl)but-2-enoic acid
    • Inchi: 1S/C14H20O2/c1-9(2-13(15)16)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8H2,1H3,(H,15,16)
    • InChI Key: WAUDIYIPJOHERP-UHFFFAOYSA-N
    • SMILES: OC(C=C(C)C12CC3CC(CC(C3)C1)C2)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 313
  • Topological Polar Surface Area: 37.3

3-(1-Adamantyl)but-2-enoic acid Pricemore >>

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3-(1-Adamantyl)but-2-enoic acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:7131-20-6)3-(1-Adamantyl)but-2-enoic acid
Order Number:A1089933
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 19:59
Price ($):435.0

Additional information on 3-(1-Adamantyl)but-2-enoic acid

Exploring the Unique Properties and Applications of 3-(1-Adamantyl)but-2-enoic acid (CAS No. 7131-20-6)

3-(1-Adamantyl)but-2-enoic acid (CAS No. 7131-20-6) is a specialized organic compound that has garnered significant interest in pharmaceutical and materials science research. This compound, characterized by its unique adamantyl group and unsaturated carboxylic acid structure, offers a range of intriguing chemical properties. Researchers are particularly drawn to its potential in drug design, where the adamantane moiety can enhance lipophilicity and metabolic stability.

The molecular structure of 3-(1-Adamantyl)but-2-enoic acid combines the rigid, three-dimensional adamantane framework with a reactive α,β-unsaturated carboxylic acid group. This combination creates interesting possibilities for chemical modification and biological activity. Current studies suggest potential applications in developing enzyme inhibitors and receptor modulators, particularly in neurological and anti-inflammatory research areas that are currently trending in scientific communities.

From a synthetic chemistry perspective, 3-(1-Adamantyl)but-2-enoic acid serves as a valuable building block for more complex molecular architectures. Its adamantyl group provides steric bulk that can influence molecular conformation and intermolecular interactions, while the but-2-enoic acid portion offers sites for further functionalization. These characteristics make it particularly relevant in today's focus on structure-activity relationship studies and rational drug design approaches.

The compound's thermal stability and solubility profile have also attracted attention in materials science applications. Researchers are investigating its potential in creating novel polymeric materials with enhanced properties, particularly in the development of high-performance coatings and specialty additives. These applications align well with current industry demands for more sustainable and high-performance materials.

Analytical characterization of 3-(1-Adamantyl)but-2-enoic acid typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC analysis. The compound's distinctive structural features produce characteristic spectral patterns that aid in its identification and purity assessment. These analytical aspects are particularly important given the growing emphasis on quality control in chemical research and pharmaceutical development.

In the context of green chemistry trends, researchers are exploring more efficient synthetic routes to 3-(1-Adamantyl)but-2-enoic acid that minimize waste and energy consumption. Recent publications have described improved methods for introducing the adamantyl group while maintaining high yields and selectivity. These developments respond to the increasing demand for sustainable synthetic methodologies in organic chemistry.

The commercial availability of 3-(1-Adamantyl)but-2-enoic acid has increased in recent years, reflecting growing research interest. Suppliers typically offer the compound in various purity grades, with HPLC-grade material being particularly sought after for biological studies. Pricing trends indicate steady demand in academic and industrial research settings, especially in pharmaceutical discovery programs.

Storage and handling recommendations for 3-(1-Adamantyl)but-2-enoic acid generally suggest protection from moisture and oxidation, with many researchers opting for storage under inert atmosphere for long-term preservation. These considerations are particularly relevant given the compound's unsaturated carboxylic acid functionality, which may be susceptible to certain degradation pathways under suboptimal conditions.

Future research directions for 3-(1-Adamantyl)but-2-enoic acid are likely to focus on expanding its applications in medicinal chemistry and exploring its potential in new material systems. The compound's unique combination of structural features positions it well for continued investigation in these rapidly evolving fields. Particularly promising areas include its potential in targeted drug delivery systems and as a component in advanced functional materials.

From a regulatory perspective, 3-(1-Adamantyl)but-2-enoic acid is not currently subject to significant restrictions, making it accessible for research purposes across most jurisdictions. However, researchers should always consult current regulations when planning studies involving this or any chemical substance, particularly in light of evolving chemical safety standards and research compliance requirements.

The scientific literature contains numerous references to 3-(1-Adamantyl)but-2-enoic acid and related adamantane derivatives, reflecting sustained interest in this chemical class. Recent publications have explored its use in developing novel bioactive compounds, with particular attention to its potential in addressing current challenges in drug discovery and material science innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:7131-20-6)3-(1-Adamantyl)but-2-enoic acid
A1089933
Purity:99%
Quantity:1g
Price ($):435.0
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