Cas no 1261915-26-7 (2-(4-ethoxy-2-methylphenyl)benzoic Acid)

2-(4-Ethoxy-2-methylphenyl)benzoic acid is a substituted benzoic acid derivative characterized by its ethoxy and methyl functional groups on the phenyl ring. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of pharmaceuticals, agrochemicals, or specialty chemicals. The presence of both electron-donating (ethoxy and methyl) and carboxylic acid groups offers versatility in further functionalization, enabling applications in coupling reactions or as a building block for more complex structures. Its well-defined structure and purity make it suitable for research and development purposes, particularly in medicinal chemistry where precise molecular modifications are critical.
2-(4-ethoxy-2-methylphenyl)benzoic Acid structure
1261915-26-7 structure
Product Name:2-(4-ethoxy-2-methylphenyl)benzoic Acid
CAS No:1261915-26-7
MF:C16H16O3
MW:256.296444892883
MDL:MFCD18312650
CID:1223048
PubChem ID:53218376
Update Time:2025-05-20

2-(4-ethoxy-2-methylphenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-ethoxy-2-methylphenyl)benzoic Acid
    • 1261915-26-7
    • 2-(4-Ethoxy-2-methylphenyl)benzoic acid, 95%
    • DTXSID60683318
    • MFCD18312650
    • 4'-Ethoxy-2'-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MDL: MFCD18312650
    • Inchi: 1S/C16H16O3/c1-3-19-12-8-9-13(11(2)10-12)14-6-4-5-7-15(14)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
    • InChI Key: HXWINSRXKLRLFC-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(C2C=CC=CC=2C(=O)O)=C(C)C=1

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: 3.6
  • Topological Polar Surface Area: 46.5?2

2-(4-ethoxy-2-methylphenyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318448-5 g
2-(4-Ethoxy-2-methylphenyl)benzoic acid, 95%; .
1261915-26-7 95%
5g
€1159.00 2023-04-26
abcr
AB318448-5g
2-(4-Ethoxy-2-methylphenyl)benzoic acid, 95%; .
1261915-26-7 95%
5g
€1159.00 2025-04-21

Additional information on 2-(4-ethoxy-2-methylphenyl)benzoic Acid

Introduction to 2-(4-ethoxy-2-methylphenyl)benzoic Acid (CAS No. 1261915-26-7) and Its Emerging Applications in Chemical Biology

2-(4-ethoxy-2-methylphenyl)benzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261915-26-7, is a structurally intriguing compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This benzoic acid derivative features a phenyl ring substituted with both an ethoxy group at the 4-position and a methyl group at the 2-position, imparting unique electronic and steric properties that make it a valuable scaffold for drug discovery and molecular probes.

The molecular structure of 2-(4-ethoxy-2-methylphenyl)benzoic acid contributes to its potential as a pharmacophore in the development of novel therapeutic agents. The presence of both electron-donating (ethoxy) and electron-withdrawing (methyl) groups on the aromatic ring creates a balance of lipophilicity and polarity, which is often favorable for oral bioavailability and target binding affinity. This characteristic has positioned it as a candidate for further exploration in medicinal chemistry.

In recent years, there has been growing interest in exploiting natural product-inspired scaffolds to develop next-generation drugs. 2-(4-ethoxy-2-methylphenyl)benzoic acid shares structural similarities with certain bioactive compounds isolated from plants and microorganisms, suggesting that it may possess inherent biological activity. Preliminary studies have hinted at its potential role in modulating enzyme activity and interacting with biological pathways relevant to inflammation, metabolic disorders, and neurodegenerative diseases.

One of the most compelling aspects of 2-(4-ethoxy-2-methylphenyl)benzoic acid is its versatility as a starting point for chemical derivatization. By modifying the substituents on the aromatic ring or introducing additional functional groups, researchers can generate libraries of analogs with tailored properties. This approach aligns with contemporary drug discovery strategies that emphasize structure-based design and high-throughput screening.

Recent advances in computational chemistry have further enhanced the utility of 2-(4-ethoxy-2-methylphenyl)benzoic acid as a lead compound. Molecular docking simulations have been employed to predict its binding interactions with various protein targets, including kinases, transcription factors, and receptors. These simulations have provided insights into how structural modifications might optimize binding affinity and selectivity, guiding experimental efforts toward more potent derivatives.

The synthesis of 2-(4-ethoxy-2-methylphenyl)benzoic acid has also been refined through modern synthetic methodologies. Catalytic processes and green chemistry principles have been integrated into its preparation, minimizing waste and improving yield. Such sustainable approaches are increasingly important in pharmaceutical research, where environmental impact is a critical consideration.

Investigations into the pharmacological profile of 2-(4-ethoxy-2-methylphenyl)benzoic acid have revealed promising results in preclinical models. Studies have demonstrated its ability to inhibit certain inflammatory pathways by modulating cytokine production and reducing oxidative stress. These findings suggest potential therapeutic applications in conditions such as rheumatoid arthritis, atherosclerosis, and chronic inflammation.

The role of CAS No. 1261915-26-7 in academic research has also been underscored by its inclusion in several patent filings and scientific publications. Researchers worldwide have leveraged this compound as a key intermediate in synthesizing more complex molecules with therapeutic potential. Its accessibility through specialized chemical suppliers has facilitated broader adoption in research laboratories.

Looking ahead, the future of 2-(4-ethoxy-2-methylphenyl)benzoic acid lies in its integration into interdisciplinary studies that combine synthetic chemistry, biochemistry, and computational biology. By fostering collaboration across these fields, scientists can accelerate the discovery of novel drugs derived from this promising scaffold. Additionally, exploring its role in combination therapies may unlock synergistic effects that enhance treatment outcomes.

The growing body of evidence supporting the biological relevance of CAS No. 1261915-26-7 underscores its importance as a tool compound in chemical biology research. As methodologies for drug development continue to evolve, this benzoic acid derivative is poised to play a significant role in shaping future therapeutic strategies.

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