Cas no 72903-23-2 (CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER)

Cyclohexanecarboxylic acid, 3-methyl-, methyl ester is a cyclic ester derivative characterized by its methyl-substituted cyclohexane backbone. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of fragrances, flavors, and specialty chemicals. Its structural features, including the ester functional group and methyl substitution, contribute to its reactivity and solubility in organic solvents. The compound's stability under standard conditions makes it suitable for various industrial applications. Its defined molecular structure ensures consistent performance in synthetic processes, while its volatility and purity are critical for precision in formulations. Proper handling and storage are recommended to maintain its integrity.
CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER structure
72903-23-2 structure
Product Name:CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER
CAS No:72903-23-2
MF:C9H16O2
MW:156.222143173218
MDL:MFCD30176241
CID:3411241
PubChem ID:21259590
Update Time:2025-07-01

CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER
    • 3-Methyl-cyclohexanecarboxylic acid methyl ester
    • DTXSID101288062
    • SCHEMBL254953
    • DTXCID30212654
    • NS00002519
    • AWZWUAFNPBYDLB-UHFFFAOYSA-N
    • 72903-23-2
    • methyl 3-methylcyclohexanecarboxylate
    • 700-420-0
    • METHYL 3-METHYLCYCLOHEXANE-1-CARBOXYLATE
    • MDL: MFCD30176241
    • Inchi: 1S/C9H16O2/c1-7-4-3-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3
    • InChI Key: AWZWUAFNPBYDLB-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CCCC(C)C1)=O

Computed Properties

  • Exact Mass: 156.115029749g/mol
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 143
  • 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: 2.4
  • Topological Polar Surface Area: 26.3?2

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Additional information on CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER

CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER (CAS No. 72903-23-2): A Comprehensive Overview

CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER, with the CAS number 72903-23-2, is a significant compound in the field of organic chemistry and pharmaceutical research. This methyl ester derivative of 3-methylcyclohexanoic acid has garnered attention due to its unique structural properties and potential applications in various chemical synthesis processes.

The compound belongs to the class of cyclohexane derivatives, which are widely studied for their diverse chemical behaviors and biological activities. The presence of a carboxylic acid group and a methyl ester functionality makes this molecule particularly interesting for researchers exploring novel synthetic pathways and functional materials.

In recent years, the pharmaceutical industry has shown increasing interest in cyclohexane derivatives due to their potential as intermediates in drug development. Specifically, CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER has been investigated for its role in synthesizing bioactive molecules. Its structural framework allows for modifications that can enhance binding affinity to biological targets, making it a valuable candidate for medicinal chemistry applications.

One of the most compelling aspects of this compound is its versatility in chemical transformations. The ester group can be hydrolyzed back to the corresponding carboxylic acid, or it can undergo various reactions such as transesterification, allowing for the creation of a wide range of derivatives. These properties make it an essential building block in organic synthesis, particularly in the preparation of complex molecules.

Recent studies have highlighted the utility of CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER in the development of novel polymers and coatings. The cyclohexane ring provides stability and flexibility, while the ester group offers reactivity that can be tailored for specific applications. This has led to its incorporation into advanced materials that require both mechanical strength and chemical adaptability.

The compound's potential in pharmaceutical applications extends beyond its role as an intermediate. Research indicates that derivatives of 3-methylcyclohexanoic acid may exhibit inhibitory effects on certain enzymes and receptors, making them promising candidates for therapeutic agents. For instance, modifications to the methyl ester group have been explored to enhance bioavailability and target specificity.

From a synthetic chemistry perspective, CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER serves as a model system for understanding reaction mechanisms involving cyclic esters. Its well-defined structure allows chemists to study electronic effects and steric influences on reaction outcomes, contributing to a deeper understanding of organic transformations.

The production of this compound typically involves catalytic hydrogenation or esterification reactions starting from cyclohexanone or related precursors. Advances in catalytic systems have improved the efficiency and selectivity of these processes, making large-scale synthesis more feasible. This has opened up new possibilities for industrial applications where high-purity compounds are required.

In conclusion, CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER (CAS No. 72903-23-2) is a multifaceted compound with significant potential in both pharmaceutical research and material science. Its unique structural features and reactivity make it a valuable tool for chemists and researchers seeking to develop new bioactive molecules and advanced materials. As research continues to uncover new applications, this compound is likely to remain at the forefront of scientific innovation.

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