Cas no 202737-32-4 (1-(3-Methylphenyl)cyclobutanecarboxylic Acid)

1-(3-Methylphenyl)cyclobutanecarboxylic Acid is a cyclobutane-based carboxylic acid derivative featuring a 3-methylphenyl substituent. This compound is of interest in synthetic organic chemistry due to its rigid cyclobutane ring structure, which can influence conformational stability in molecular design. The carboxylic acid functional group provides a versatile handle for further derivatization, making it useful in the synthesis of pharmaceuticals, agrochemicals, or specialty materials. The 3-methylphenyl moiety may enhance lipophilicity, potentially improving bioavailability in certain applications. Its well-defined structure allows for precise modifications in drug discovery and material science research. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for experimental use.
1-(3-Methylphenyl)cyclobutanecarboxylic Acid structure
202737-32-4 structure
Product Name:1-(3-Methylphenyl)cyclobutanecarboxylic Acid
CAS No:202737-32-4
MF:C12H14O2
MW:190.238363742828
MDL:MFCD08444977
CID:2625052
PubChem ID:16228405
Update Time:2025-10-23

1-(3-Methylphenyl)cyclobutanecarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-methylphenyl)cyclobutane-1-carboxylic acid
    • 1-(3-Methylphenyl)cyclobutanecarboxylic Acid
    • EN300-28291
    • 202737-32-4
    • 1-(M-Tolyl)Cyclobutanecarboxylic acid
    • 1-m-tolylcyclobutanecarboxylic acid
    • AS-38963
    • SCHEMBL8110741
    • MFCD08444977
    • AB90683
    • CS-0310802
    • Z228588958
    • 1-(M-Tolyl)Cyclobutanecarboxylicacid
    • DTXSID90585518
    • AKOS009113450
    • DTXCID50536283
    • 893-246-0
    • CIA73732
    • MDL: MFCD08444977
    • Inchi: 1S/C12H14O2/c1-9-4-2-5-10(8-9)12(11(13)14)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)
    • InChI Key: SSPYKVRECSNVLY-UHFFFAOYSA-N
    • SMILES: OC(C1(C2C=CC=C(C)C=2)CCC1)=O

Computed Properties

  • Exact Mass: 190.099379685g/mol
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 37.3?2

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Additional information on 1-(3-Methylphenyl)cyclobutanecarboxylic Acid

Introduction to 1-(3-Methylphenyl)cyclobutanecarboxylic Acid (CAS No. 202737-32-4)

1-(3-Methylphenyl)cyclobutanecarboxylic Acid, identified by its Chemical Abstracts Service (CAS) number 202737-32-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of cyclobutane derivatives coupled with an aromatic ring, featuring a unique structural configuration that makes it a promising candidate for various biochemical applications. The presence of a 3-methylphenyl group (also known as *p*-tolyl) introduces a specific electronic and steric environment, which can influence its interactions with biological targets, making it an intriguing subject for further investigation.

The molecular structure of 1-(3-Methylphenyl)cyclobutanecarboxylic Acid consists of a cyclobutane ring substituted with a carboxylic acid moiety at one position and a 3-methylphenyl group at another. This arrangement imparts distinct physicochemical properties, such as solubility, stability, and reactivity, which are critical factors in drug design and development. The compound’s ability to engage in hydrogen bonding due to the carboxylic acid group, combined with its aromatic nature, suggests potential applications in the synthesis of enzyme inhibitors, receptor modulators, and other therapeutic agents.

In recent years, there has been growing interest in cyclobutane derivatives due to their unique biological activities and synthetic versatility. The rigid cyclic structure of the cyclobutane ring can enhance binding affinity and selectivity towards certain biological targets, which is a key consideration in medicinal chemistry. Specifically, 1-(3-Methylphenyl)cyclobutanecarboxylic Acid has been explored in the context of developing novel pharmacological entities that could address unmet medical needs. Its structural motif is reminiscent of established drug scaffolds, suggesting that it may serve as a valuable building block for further derivatization and optimization.

One of the most compelling aspects of 1-(3-Methylphenyl)cyclobutanecarboxylic Acid is its potential role in modulating biological pathways associated with inflammation, pain perception, and neurodegenerative disorders. Preclinical studies have indicated that structurally similar compounds can interact with specific enzymes and receptors, leading to therapeutic effects. For instance, derivatives of cyclobutane carboxylic acids have been investigated for their anti-inflammatory properties by targeting cyclooxygenase (COX) enzymes or other inflammatory mediators. The 3-methylphenyl substituent may further enhance these interactions by influencing the compound’s electronic properties and binding affinity.

The synthesis of 1-(3-Methylphenyl)cyclobutanecarboxylic Acid presents both challenges and opportunities for chemists. Traditional synthetic routes often involve multi-step processes that require careful control of reaction conditions to achieve high yields and purity. Advances in catalytic methods and asymmetric synthesis have made it possible to construct complex molecules more efficiently. Additionally, computational chemistry techniques are increasingly being employed to predict the behavior of such compounds before experimental synthesis, thereby reducing trial-and-error approaches. These innovations are crucial for optimizing the production of 1-(3-Methylphenyl)cyclobutanecarboxylic Acid and its derivatives.

From a pharmaceutical perspective, the development of new drug candidates relies heavily on understanding the relationship between molecular structure and biological activity. 1-(3-Methylphenyl)cyclobutanecarboxylic Acid exemplifies this principle by combining structural features that are known to enhance pharmacological potency. Its cyclobutane core provides rigidity, while the carboxylic acid group allows for further functionalization through esterification or amidation reactions. The 3-methylphenyl moiety contributes to lipophilicity and can be modified to improve solubility or target specificity.

Recent research has also explored the use of 1-(3-Methylphenyl)cyclobutanecarboxylic Acid as an intermediate in the synthesis of more complex molecules with tailored biological activities. For example, researchers have investigated its potential as a precursor for designing small-molecule inhibitors targeting protein-protein interactions or enzyme-substrate complexes. The versatility of this compound lies in its ability to serve as a scaffold for structural diversification while maintaining key pharmacophoric elements necessary for biological activity.

In conclusion, 1-(3-Methylphenyl)cyclobutanecarboxylic Acid (CAS No. 202737-32-4) represents a fascinating compound with significant potential in pharmaceutical research and drug development. Its unique structural features make it an attractive candidate for further exploration in medicinal chemistry. As our understanding of biochemical pathways continues to expand, compounds like this one will play an increasingly important role in addressing complex diseases through innovative therapeutic strategies.

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