Cas no 923020-92-2 (1-(methoxycarbonyl)cycloheptane-1-carboxylic acid)

1-(Methoxycarbonyl)cycloheptane-1-carboxylic acid is a cycloheptane-based carboxylic acid derivative featuring a methoxycarbonyl functional group. This compound is of interest in synthetic organic chemistry due to its bifunctional reactivity, enabling its use as a versatile intermediate in the preparation of more complex molecules. The cycloheptane ring provides conformational flexibility, while the carboxyl and ester groups offer distinct reactivity for further derivatization, such as ester hydrolysis, amidation, or decarboxylation. Its structural features make it suitable for applications in pharmaceutical and materials science research, particularly in the synthesis of cyclic frameworks or functionalized building blocks. The compound is typically handled under standard laboratory conditions with appropriate safety precautions.
1-(methoxycarbonyl)cycloheptane-1-carboxylic acid structure
923020-92-2 structure
Product Name:1-(methoxycarbonyl)cycloheptane-1-carboxylic acid
CAS No:923020-92-2
MF:C10H15O4
MW:199.223703622818
CID:738768
PubChem ID:22080562
Update Time:2025-06-08

1-(methoxycarbonyl)cycloheptane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,1-Cycloheptanedicarboxylic acid, 1-methyl ester
    • 1-methoxycarbonylcycloheptane-1-carboxylate
    • 1-(Methoxycarbonyl)cycloheptane-1-carboxylate
    • 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid
    • Inchi: 1S/C10H16O4/c1-14-9(13)10(8(11)12)6-4-2-3-5-7-10/h2-7H2,1H3,(H,11,12)/p-1
    • InChI Key: ISIOSVLRWYHSTK-UHFFFAOYSA-M
    • SMILES: O(C)C(C1(C(=O)[O-])CCCCCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 221
  • Topological Polar Surface Area: 66.4

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1-(methoxycarbonyl)cycloheptane-1-carboxylic acid Suppliers

Amadis Chemical Company Limited
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(CAS:923020-92-2)1-(methoxycarbonyl)cycloheptane-1-carboxylic acid
Order Number:A959736
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:10
Price ($):487.0

Additional information on 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid

Introduction to 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid (CAS No. 923020-92-2)

1-(methoxycarbonyl)cycloheptane-1-carboxylic acid, identified by its Chemical Abstracts Service (CAS) number 923020-92-2, is a significant compound in the field of organic chemistry and pharmaceutical research. This molecule, featuring a cycloheptane core functionalized with a methoxycarbonyl group and a carboxylic acid moiety, has garnered attention due to its versatile structural properties and potential applications in synthetic chemistry and drug development.

The compound’s structure consists of a seven-membered cyclic hydrocarbon ring, substituted at the 1-position with both a methoxycarbonyl (also known as an ester) and a carboxylic acid group. This dual functionality makes it a valuable intermediate in the synthesis of more complex molecules, particularly in the pharmaceutical industry. The presence of the methoxycarbonyl group enhances its reactivity, allowing for further derivatization through processes such as hydrolysis or reduction, while the carboxylic acid group enables hydrogen bonding interactions and salt formation, which are crucial for drug solubility and bioavailability.

In recent years, there has been growing interest in cycloalkane derivatives due to their unique physicochemical properties and biological activities. Specifically, 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid has been explored as a building block in the synthesis of novel therapeutic agents. Its cycloheptane scaffold mimics natural steroidal structures, which are known for their potent biological effects. Researchers have leveraged this compound to develop potential treatments for various diseases, including neurological disorders and inflammatory conditions.

One of the most compelling aspects of 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid is its role in the development of enzyme inhibitors. The combination of the methoxycarbonyl and carboxylic acid groups allows for precise modulation of molecular interactions, enabling the design of inhibitors that target specific enzymatic pathways. For instance, studies have demonstrated its utility in inhibiting cytochrome P450 enzymes, which are critical in drug metabolism. By fine-tuning the substituents on the cycloheptane ring, researchers can optimize binding affinity and selectivity, leading to more effective therapeutic outcomes.

The pharmaceutical industry has also explored 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid as a precursor for peptide mimetics. Peptides are essential biomolecules that play a myriad of roles in cellular communication and regulation. However, their susceptibility to enzymatic degradation limits their use as therapeutics. By incorporating cycloalkane derivatives like this compound into peptide analogs, scientists can enhance stability and bioavailability. This approach has shown promise in developing long-acting drugs that require less frequent administration.

Moreover, the structural motif of 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid has been investigated for its potential in materials science applications. The rigid cycloheptane ring provides steric hindrance, which can be exploited to design polymers with specific mechanical properties. Additionally, the presence of polar functional groups enhances intermolecular interactions, making it suitable for applications in adhesives and coatings.

Recent advancements in computational chemistry have further illuminated the synthetic potential of 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid. Molecular modeling studies have predicted novel derivatives with enhanced biological activity, guiding experimental efforts toward more efficient drug discovery pipelines. These computational approaches have also helped identify optimal reaction conditions for its synthesis, reducing waste and improving yield.

The environmental impact of synthesizing 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid has also been a focus of research. Green chemistry principles have been applied to develop more sustainable synthetic routes, minimizing hazardous byproducts and energy consumption. For example, catalytic methods have been employed to achieve selective functionalization without excessive use of reagents or harsh conditions.

In conclusion, 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid (CAS No. 923020-92-2) is a multifaceted compound with significant implications in pharmaceuticals, materials science, and synthetic chemistry. Its unique structural features make it a valuable tool for developing innovative therapeutics and advanced materials. As research continues to uncover new applications for this molecule, 1-(methoxycarbonyl)cycloheptane-1-carboxylic acid is poised to play an increasingly important role in addressing global challenges in health and technology.

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Amadis Chemical Company Limited
(CAS:923020-92-2)1-(methoxycarbonyl)cycloheptane-1-carboxylic acid
A959736
Purity:99%
Quantity:1g
Price ($):487.0
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