Cas no 4401-32-5 (4,4-Dimethylcycloheptane-1-carboxylic acid)

4,4-Dimethylcycloheptane-1-carboxylic acid is a cycloaliphatic carboxylic acid characterized by its seven-membered ring structure with two methyl substituents at the 4-position. This compound is of interest in synthetic organic chemistry due to its sterically hindered carboxyl group, which can influence reactivity in esterification, amidation, and other derivatization reactions. The dimethyl substitution enhances the stability of the cycloheptane ring, making it a useful intermediate for the preparation of more complex cyclic frameworks. Its structural features may also be leveraged in the development of specialty polymers, fragrances, or pharmaceutical precursors. The compound is typically supplied in high purity to ensure consistent performance in research and industrial applications.
4,4-Dimethylcycloheptane-1-carboxylic acid structure
4401-32-5 structure
Product Name:4,4-Dimethylcycloheptane-1-carboxylic acid
CAS No:4401-32-5
MF:C10H18O2
MW:170.248723506927
MDL:MFCD21125302
CID:5617119
PubChem ID:65084279
Update Time:2025-10-28

4,4-Dimethylcycloheptane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • EN300-3005900
    • AKOS014417130
    • 4,4-dimethylcycloheptane-1-carboxylic acid
    • 4401-32-5
    • 4,4-Dimethylcycloheptane-1-carboxylic acid
    • MDL: MFCD21125302
    • Inchi: 1S/C10H18O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
    • InChI Key: ZATOTMBDEGLOGS-UHFFFAOYSA-N
    • SMILES: OC(C1CCCC(C)(C)CC1)=O

Computed Properties

  • Exact Mass: 170.130679813g/mol
  • Monoisotopic Mass: 170.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 173
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 37.3?2

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Additional information on 4,4-Dimethylcycloheptane-1-carboxylic acid

4,4-Dimethylcycloheptane-1-carboxylic Acid: A Comprehensive Overview

4,4-Dimethylcycloheptane-1-carboxylic acid (CAS No. 4401-32-5) is a unique organic compound that has garnered attention in various fields due to its structural properties and potential applications. This compound belongs to the class of cycloalkane carboxylic acids, which are known for their versatility in chemical synthesis and industrial applications. The molecule consists of a cycloheptane ring with two methyl groups attached at the 4-position and a carboxylic acid group at the 1-position. This configuration imparts distinct chemical and physical properties to the compound, making it a subject of interest in both academic and industrial research.

The cycloheptane ring structure is a key feature of this compound, as it provides a rigid framework that can influence the reactivity and stability of the molecule. The presence of two methyl groups at the 4-position introduces steric hindrance, which can affect the compound's reactivity in various chemical reactions. Additionally, the carboxylic acid group at the 1-position makes this compound acidic, enabling it to participate in reactions such as esterification and amidation. These properties make 4,4-dimethylcycloheptane-1-carboxylic acid a valuable precursor in organic synthesis.

Recent studies have highlighted the potential of cycloheptane carboxylic acid derivatives in materials science. For instance, researchers have explored the use of these compounds as monomers in polymer synthesis, where their rigid structure can contribute to the development of high-performance materials with enhanced mechanical properties. Furthermore, the carboxylic acid group allows for easy functionalization, enabling the creation of tailor-made polymers for specific applications such as biodegradable plastics or advanced composites.

In the field of pharmaceuticals, 4,4-dimethylcycloheptane-1-carboxylic acid has shown promise as a building block for drug development. Its unique structure can serve as a scaffold for designing bioactive molecules with improved pharmacokinetic properties. Recent research has focused on modifying this compound to enhance its bioavailability and reduce toxicity, making it a potential candidate for drug delivery systems.

The synthesis of 4,4-dimethylcycloheptane-1-carboxylic acid typically involves multi-step processes that combine organic synthesis techniques such as Friedel-Crafts alkylation and oxidation reactions. These methods have been optimized to achieve high yields and purity levels, ensuring that the compound meets industrial standards for quality and performance.

From an environmental perspective, there is growing interest in understanding the biodegradation pathways of cycloheptane carboxylic acids. Recent studies have demonstrated that these compounds can undergo microbial degradation under specific conditions, offering insights into their environmental fate and potential for sustainable use.

In conclusion, 4,4-dimethylcycloheptane-1-carboxylic acid (CAS No. 4401-32-5) is a versatile compound with diverse applications across multiple industries. Its unique structure and functional groups make it an invaluable tool in organic synthesis, materials science, and pharmaceutical research. As advancements in synthetic chemistry continue to unfold, this compound is expected to play an increasingly important role in driving innovation and development in these fields.

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