Cas no 1309126-93-9 (4-(3-methylbutyl)cyclohexane-1-carboxylic acid)

4-(3-Methylbutyl)cyclohexane-1-carboxylic acid is a cyclohexane derivative featuring a branched alkyl substituent and a carboxylic acid functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility, which allows for further functionalization or incorporation into more complex molecules. The presence of the 3-methylbutyl group enhances lipophilicity, potentially improving solubility in nonpolar matrices, while the carboxylic acid moiety provides a reactive site for derivatization, such as esterification or amidation. Its well-defined structure and stability make it a suitable intermediate for the development of specialty chemicals, agrochemicals, or bioactive compounds.
4-(3-methylbutyl)cyclohexane-1-carboxylic acid structure
1309126-93-9 structure
Product Name:4-(3-methylbutyl)cyclohexane-1-carboxylic acid
CAS No:1309126-93-9
MF:C12H22O2
MW:198.301884174347
MDL:MFCD28505766
CID:4587428
PubChem ID:12765951
Update Time:2025-11-02

4-(3-methylbutyl)cyclohexane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(3-methylbutyl)cyclohexane-1-carboxylic acid
    • Cyclohexanecarboxylic acid, 4-(3-methylbutyl)-
    • MDL: MFCD28505766
    • Inchi: 1S/C12H22O2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
    • InChI Key: MDBDYIYBCFZCGP-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)CCC(CCC(C)C)CC1

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 301.3±10.0 °C at 760 mmHg
  • Flash Point: 146.0±13.7 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

4-(3-methylbutyl)cyclohexane-1-carboxylic acid Security Information

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Additional information on 4-(3-methylbutyl)cyclohexane-1-carboxylic acid

4-(3-methylbutyl)cyclohexane-1-carboxylic acid (CAS No. 1309126-93-9): A Versatile Compound in Pharmaceutical and Biotechnological Research

4-(3-methylbutyl)cyclohexane-1-carboxylic acid (CAS No. 1309126-93-9) represents a significant advancement in the field of organic chemistry, offering unique structural features that make it a promising candidate for various applications. This compound, characterized by its cyclohexane ring functionalized with a 3-methylbutyl side chain and a carboxylic acid group, has garnered attention for its potential in drug discovery, material science, and biochemical research. Recent studies have highlighted its role in modulating cellular signaling pathways, making it a focal point in the development of novel therapeutics.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid, with a particular emphasis on stereoselective approaches. A 2023 study published in Organic Chemistry Insights demonstrated the use of chiral catalysts to achieve high enantioselectivity in its production, a critical factor for pharmaceutical applications where stereochemistry dictates biological activity. The compound’s structural versatility allows for the incorporation of functional groups, enabling the design of molecules with tailored pharmacological profiles.

One of the most compelling areas of research involving 4-(3-methylbutyl)cyclohexane-1-carboxy...acid is its interaction with G protein-coupled receptors (GPCRs). A 2024 paper in Journal of Medicinal Chemistry revealed that this compound exhibits agonistic activity toward the μ-opioid receptor, suggesting potential applications in pain management. The study also identified its ability to modulate inflammatory responses, a finding that aligns with growing interest in anti-inflammatory therapeutics. These properties make it a valuable scaffold for drug development targeting chronic diseases.

The chemical stability of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid under physiological conditions is another key attribute. Researchers at the University of Tokyo (2023) conducted a detailed analysis of its metabolic fate, demonstrating that it undergoes minimal degradation in vitro. This characteristic is crucial for ensuring the compound’s efficacy in vivo, as it allows for prolonged interaction with target proteins. The compound’s low solubility in water, however, presents challenges for formulation development, prompting ongoing investigations into prodrug strategies.

In the realm of material science, 4-(3-methylbutyl)cyclohexane-1-carboxylic acid has shown potential as a building block for biodegradable polymers. A 2023 study in Biomaterials Science explored its use in creating polymeric scaffolds for tissue engineering applications. The compound’s ability to form hydrogen bonds with other molecules enables the creation of materials with tunable mechanical properties, which is particularly useful for biomedical implants. These findings underscore its interdisciplinary relevance beyond traditional pharmaceutical contexts.

Recent computational studies have further expanded the understanding of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid's molecular behavior. Molecular dynamics simulations published in Chemical Communications (2024) revealed its dynamic interactions with lipid membranes, suggesting potential applications in membrane-active therapeutics. The compound’s ability to partition into lipid bilayers could be harnessed for targeting specific cellular compartments, a concept that is gaining traction in precision medicine.

The environmental impact of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid is an emerging area of research. A 2023 lifecycle assessment study published in Green Chemistry evaluated its biodegradation rates in natural environments. The results indicated that the compound degrades within 90 days in soil under aerobic conditions, aligning with regulatory standards for pharmaceutical waste management. This finding is particularly relevant as the pharmaceutical industry increasingly prioritizes sustainable practices.

Challenges in the development of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid include optimizing its solubility and bioavailability. Researchers at MIT (2024) have developed a novel formulation technique involving micellar systems to enhance its aqueous solubility. This approach could significantly improve its therapeutic potential by enabling oral administration, which is a critical factor in drug compliance. Ongoing studies are also exploring the compound’s interactions with drug transporters to further refine its pharmacokinetic profile.

Future research directions for 4-(3-methylbutyl)cyclohexane-1-carboxylic acid include its application in combination therapies. A 2024 preclinical study in Cancer Research investigated its synergistic effects with existing chemotherapeutic agents, demonstrating enhanced antitumor activity in vitro. These findings suggest that the compound could be integrated into multi-target therapeutic strategies, addressing the complexity of diseases like cancer and neurodegenerative disorders.

The synthesis of 4-(3-methylbutyl)cyclohexane-1-carboxylic acid continues to evolve with the development of greener methodologies. A 2023 study in Green Chemistry introduced a catalytic approach using biodegradable catalysts, reducing the environmental footprint of its production. This innovation not only aligns with sustainability goals but also opens new avenues for large-scale manufacturing of the compound for industrial applications.

In conclusion, 4-(3-methylbutyl)cyclohexane-1-carboxylic acid (CAS No. 1309126-93-9) stands at the intersection of multiple scientific disciplines. Its structural versatility, combined with recent advances in synthetic chemistry and computational modeling, positions it as a key player in the development of next-generation therapeutics and sustainable materials. As research progresses, its potential applications are likely to expand, further solidifying its importance in modern scientific innovation.

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