Cas no 1261997-66-3 (2-(3-ethoxyphenyl)-5-methylbenzoic Acid)

2-(3-Ethoxyphenyl)-5-methylbenzoic acid is a substituted benzoic acid derivative characterized by its ethoxy and methyl functional groups. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of more complex molecules, particularly in pharmaceutical and agrochemical applications. The presence of both electron-donating (ethoxy) and hydrophobic (methyl) groups enhances its utility in fine-tuning reactivity and solubility properties. Its well-defined structure allows for precise modifications, making it valuable in medicinal chemistry for structure-activity relationship studies. The compound is typically handled under standard laboratory conditions, with stability suitable for further functionalization.
2-(3-ethoxyphenyl)-5-methylbenzoic Acid structure
1261997-66-3 structure
Product Name:2-(3-ethoxyphenyl)-5-methylbenzoic Acid
CAS No:1261997-66-3
MF:C16H16O3
MW:256.296444892883
MDL:MFCD18320399
CID:1219450
PubChem ID:53226302
Update Time:2025-06-22

2-(3-ethoxyphenyl)-5-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-ethoxyphenyl)-5-methylbenzoic Acid
    • DTXSID70690013
    • MFCD18320399
    • AKOS017552425
    • 1261997-66-3
    • 2-(3-Ethoxyphenyl)-5-methylbenzoic acid, 95%
    • 3'-Ethoxy-4-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MDL: MFCD18320399
    • Inchi: 1S/C16H16O3/c1-3-19-13-6-4-5-12(10-13)14-8-7-11(2)9-15(14)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
    • InChI Key: QPDOPELJMFKSRK-UHFFFAOYSA-N
    • SMILES: O(CC)C1=CC=CC(=C1)C1C=CC(C)=CC=1C(=O)O

Computed Properties

  • Exact Mass: 256.109944368g/mol
  • Monoisotopic Mass: 256.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 302
  • 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: 3.8
  • Topological Polar Surface Area: 46.5?2

2-(3-ethoxyphenyl)-5-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327573-5 g
2-(3-Ethoxyphenyl)-5-methylbenzoic acid, 95%; .
1261997-66-3 95%
5 g
€1,159.00 2023-07-19
abcr
AB327573-5g
2-(3-Ethoxyphenyl)-5-methylbenzoic acid, 95%; .
1261997-66-3 95%
5g
€1159.00 2025-04-21

2-(3-ethoxyphenyl)-5-methylbenzoic Acid Related Literature

Additional information on 2-(3-ethoxyphenyl)-5-methylbenzoic Acid

Introduction to 2-(3-ethoxyphenyl)-5-methylbenzoic Acid (CAS No. 1261997-66-3) and Its Emerging Applications in Chemical Biology

2-(3-ethoxyphenyl)-5-methylbenzoic acid, identified by the chemical identifier CAS No. 1261997-66-3, is a structurally intriguing compound that has garnered significant attention in the field of chemical biology due to its unique pharmacophoric features. This benzoic acid derivative combines an ethoxy group at the 3-position of the phenyl ring with a methyl substituent at the 5-position, creating a molecular scaffold that exhibits promising biological activities. The compound’s dual aromatic and carboxylic acid functionalities make it a versatile intermediate for the synthesis of novel therapeutic agents, particularly in the realm of drug discovery and development.

The significance of 2-(3-ethoxyphenyl)-5-methylbenzoic acid lies not only in its structural complexity but also in its potential applications across multiple domains of biomedical research. Recent studies have highlighted its role as a key intermediate in the synthesis of advanced pharmaceuticals, where its aromatic system serves as a scaffold for further functionalization. The presence of both electron-donating (ethoxy) and electron-withdrawing (methyl) groups enhances its reactivity, making it an attractive candidate for medicinal chemists seeking to develop next-generation drugs.

In the context of contemporary chemical biology, 2-(3-ethoxyphenyl)-5-methylbenzoic acid has been explored for its potential in modulating various biological pathways. Its structural motif is reminiscent of several known bioactive molecules, suggesting that it may possess inhibitory or stimulatory effects on target enzymes and receptors. Preliminary in vitro studies have indicated that derivatives of this compound could exhibit anti-inflammatory, antioxidant, or even anticancer properties, although further research is necessary to fully elucidate its mechanism of action.

The synthesis of 2-(3-ethoxyphenyl)-5-methylbenzoic acid typically involves multi-step organic reactions, often starting from commercially available aromatic precursors. The introduction of the ethoxy group at the 3-position and the methyl group at the 5-position requires precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions or directed ortho-metalation strategies, have been employed to achieve these transformations efficiently. These synthetic approaches not only highlight the compound’s synthetic utility but also demonstrate the growing sophistication of modern organic chemistry in producing complex molecular architectures.

One of the most compelling aspects of 2-(3-ethoxyphenyl)-5-methylbenzoic acid is its potential as a building block for drug design. By modifying its core structure or appending additional functional groups, researchers can generate libraries of derivatives with tailored biological activities. This flexibility has led to its incorporation into high-throughput screening campaigns aimed at identifying novel lead compounds for therapeutic intervention. The compound’s compatibility with various chemical transformations makes it an indispensable tool in the pharmacologist’s arsenal.

Recent advancements in computational chemistry have further enhanced the utility of 2-(3-ethoxyphenyl)-5-methylbenzoic acid by enabling virtual screening and molecular docking studies. These computational techniques allow researchers to predict how this compound might interact with biological targets, providing insights into its potential efficacy and selectivity. Such simulations are particularly valuable in reducing experimental trial-and-error, thereby accelerating the drug discovery process.

The role of CAS No. 1261997-66-3 in academic and industrial research underscores its importance as a benchmark compound in chemical biology. Its well-documented synthetic pathways and demonstrated biological relevance make it a preferred choice for both educators and researchers alike. As our understanding of disease mechanisms continues to evolve, compounds like 2-(3-ethoxyphenyl)-5-methylbenzoic acid will remain at the forefront of innovation, driving progress in therapeutic development.

In conclusion, 2-(3-ethoxyphenyl)-5-methylbenzoic acid represents a significant advancement in pharmaceutical chemistry, offering a rich structural framework for drug design and discovery. Its unique combination of functional groups and synthetic accessibility positions it as a cornerstone molecule in modern medicinal chemistry. With ongoing research uncovering new applications and mechanisms, this compound is poised to play an increasingly vital role in addressing some of today’s most pressing healthcare challenges.

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