Cas no 1261986-00-8 (2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid)

2-(4-Ethoxycarbonylphenyl)-6-methylbenzoic acid is a versatile intermediate in organic synthesis, particularly valued for its role in the preparation of pharmaceuticals and fine chemicals. The compound features both a carboxylic acid and an ester functional group, enabling diverse reactivity for further derivatization. Its aromatic structure, with a methyl substituent on the benzoic acid moiety, enhances stability while allowing selective modifications. This compound is useful in constructing complex molecular frameworks, including active pharmaceutical ingredients (APIs) and specialty materials. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications requiring precise synthetic control.
2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid structure
1261986-00-8 structure
Product Name:2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid
CAS No:1261986-00-8
MF:C17H16O4
MW:284.306545257568
MDL:MFCD18322028
CID:1219430
PubChem ID:53227858
Update Time:2025-11-02

2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid
    • 4'-(Ethoxycarbonyl)-3-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MFCD18322028
    • DTXSID00691391
    • 1261986-00-8
    • 2-(4-Ethoxycarbonylphenyl)-6-methylbenzoic acid, 95%
    • MDL: MFCD18322028
    • Inchi: 1S/C17H16O4/c1-3-21-17(20)13-9-7-12(8-10-13)14-6-4-5-11(2)15(14)16(18)19/h4-10H,3H2,1-2H3,(H,18,19)
    • InChI Key: CDQWNNGYGRAXMV-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)C1C=CC=C(C)C=1C(=O)O)=O

Computed Properties

  • Exact Mass: 284.10485899g/mol
  • Monoisotopic Mass: 284.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 371
  • 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: 3.7
  • Topological Polar Surface Area: 63.6?2

2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329303-5 g
2-(4-Ethoxycarbonylphenyl)-6-methylbenzoic acid, 95%; .
1261986-00-8 95%
5g
€1159.00 2023-04-26
abcr
AB329303-5g
2-(4-Ethoxycarbonylphenyl)-6-methylbenzoic acid, 95%; .
1261986-00-8 95%
5g
€1159.00 2025-04-21

Additional information on 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid

Comprehensive Guide to 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid (CAS No. 1261986-00-8): Properties, Applications, and Market Insights

2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid (CAS No. 1261986-00-8) is a specialized organic compound with significant applications in pharmaceutical and chemical research. This compound, often referred to by its systematic name, features a unique molecular structure combining a benzoic acid core with an ethoxycarbonylphenyl substituent. Its versatility makes it a valuable intermediate in synthesizing more complex molecules, particularly in drug discovery and material science.

The chemical properties of 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid include a molecular weight of approximately 284.3 g/mol and a purity level that typically exceeds 98%. Researchers value this compound for its stability under standard laboratory conditions and its solubility in common organic solvents like dimethyl sulfoxide (DMSO) and ethanol. These characteristics make it an ideal candidate for various experimental protocols, including high-throughput screening and structure-activity relationship (SAR) studies.

In the pharmaceutical industry, 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid serves as a key intermediate in the synthesis of potential therapeutic agents. Recent studies have explored its role in developing anti-inflammatory drugs and enzyme inhibitors, aligning with the growing demand for novel treatments targeting chronic diseases. The compound's structural features allow for modifications that can enhance bioavailability and target specificity, addressing common challenges in drug development.

Beyond pharmaceuticals, 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid finds applications in material science, particularly in the design of organic semiconductors and photoactive materials. Its conjugated system and electron-withdrawing groups contribute to desirable electronic properties, making it a candidate for optoelectronic devices such as organic light-emitting diodes (OLEDs) and solar cells. This aligns with the global push toward sustainable energy solutions and green chemistry.

The market for 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid is expected to grow steadily, driven by increasing R&D investments in personalized medicine and advanced materials. Suppliers and manufacturers are focusing on scalable synthesis methods to meet the rising demand from academic and industrial researchers. Quality control remains a priority, with stringent protocols to ensure batch-to-batch consistency and compliance with Good Manufacturing Practices (GMP).

For researchers seeking reliable sources of 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid, it is essential to verify the supplier's credentials, including certificates of analysis (CoA) and material safety data sheets (MSDS). Proper storage conditions—typically in a cool, dry environment away from light—are critical to maintaining the compound's integrity over time. Additionally, handling should adhere to standard laboratory safety protocols to minimize risks.

In summary, 2-(4-ethoxycarbonylphenyl)-6-methylbenzoic Acid (CAS No. 1261986-00-8) is a multifaceted compound with broad applications in cutting-edge research. Its role in drug discovery and material science underscores its importance in advancing scientific and technological innovations. As the demand for specialized chemical intermediates grows, this compound is poised to remain a valuable asset in laboratories worldwide.

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