Cas no 2228456-09-3 (5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid)

5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid is a chiral hydroxy acid featuring a cyclopropyl group and two methyl substituents at the 3-position, imparting steric and electronic effects that influence its reactivity and conformational stability. The hydroxyl group at the 2-position enhances its utility as a synthetic intermediate, particularly in the preparation of bioactive compounds or chiral ligands. Its cyclopropyl moiety contributes to ring strain, potentially increasing reactivity in ring-opening reactions. The compound’s structural complexity makes it valuable for studying steric hindrance and stereoselective transformations. Suitable for pharmaceutical or agrochemical research, it offers a versatile scaffold for derivatization and mechanistic studies.
5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid structure
2228456-09-3 structure
Product Name:5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid
CAS No:2228456-09-3
MF:C11H20O3
MW:200.274703979492
CID:5757041
PubChem ID:165612312
Update Time:2025-06-07

5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2228456-09-3
    • 5-cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid
    • EN300-1731406
    • 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid
    • Inchi: 1S/C11H20O3/c1-7(8-4-5-8)6-11(2,3)9(12)10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)
    • InChI Key: OTECXAHLZGYAAD-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)C(C)(C)CC(C)C1CC1

Computed Properties

  • Exact Mass: 200.14124450g/mol
  • Monoisotopic Mass: 200.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 219
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 57.5?2

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Additional information on 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid

5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid (CAS No. 2228456-09-3): A Comprehensive Overview

5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid (CAS No. 2228456-09-3) is a novel organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is characterized by its unique structural features, which include a cyclopropyl group, a hydroxy group, and two dimethyl groups attached to a hexanoic acid backbone. These structural elements contribute to its diverse chemical properties and potential biological activities.

The synthesis of 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid has been the subject of several recent studies. Researchers have developed efficient and scalable methods to produce this compound, focusing on optimizing yield and purity. One notable approach involves the use of transition-metal-catalyzed reactions, which have proven to be highly effective in constructing the complex molecular framework of this compound. These advancements in synthetic chemistry not only enhance the availability of 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid for further research but also pave the way for its potential application in various industries.

In the realm of biological research, 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid has shown promising activity in several assays. Studies have demonstrated its ability to modulate specific biological pathways, making it a valuable tool for investigating cellular processes. For instance, it has been found to exhibit anti-inflammatory properties by inhibiting the production of pro-inflammatory cytokines. This property is particularly relevant in the context of chronic inflammatory diseases, where the modulation of cytokine levels can lead to therapeutic benefits.

Beyond its anti-inflammatory effects, 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid has also been explored for its potential as a drug candidate. Preclinical studies have evaluated its pharmacokinetic and pharmacodynamic profiles, revealing favorable properties such as good bioavailability and low toxicity. These findings suggest that this compound could be a promising lead for the development of new therapeutic agents targeting various diseases.

The structural uniqueness of 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid has also made it an interesting subject for computational studies. Molecular dynamics simulations and quantum chemical calculations have provided insights into its conformational behavior and electronic properties. These computational tools have helped researchers understand how the specific arrangement of functional groups influences the compound's reactivity and biological activity.

In addition to its potential therapeutic applications, 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid has been investigated for its use in materials science. Its ability to form stable complexes with metal ions has led to its exploration in the development of functional materials with applications in catalysis and sensing. For example, researchers have synthesized metal-organic frameworks (MOFs) incorporating this compound as a ligand, resulting in materials with enhanced catalytic activity and selectivity.

The environmental impact of chemical compounds is an important consideration in their development and application. Studies on the biodegradability and ecotoxicity of 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid have shown that it exhibits low environmental persistence and minimal toxicity to aquatic organisms. These findings are crucial for ensuring that the compound can be used safely in various industrial settings without causing significant environmental harm.

In conclusion, 5-Cyclopropyl-2-hydroxy-3,3-dimethylhexanoic acid (CAS No. 2228456-09-3) is a multifaceted compound with a wide range of potential applications in chemistry, biology, pharmaceuticals, and materials science. Its unique structural features and favorable biological properties make it an exciting subject for ongoing research and development. As more studies are conducted, it is likely that new applications and insights will emerge, further solidifying the importance of this compound in various scientific fields.

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