Cas no 1261905-37-6 (2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid)

2-(3-Methoxycarbonylphenyl)-6-methylbenzoic acid is a versatile intermediate in organic synthesis, particularly valued for its bifunctional structure combining a benzoic acid moiety with a methoxycarbonylphenyl group. This compound is useful in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to participate in esterification, amidation, and other coupling reactions. The methyl substituent enhances stability and influences reactivity, making it a preferred building block for fine chemical synthesis. Its well-defined structure ensures consistent performance in multi-step synthetic routes. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for optimal results in downstream applications.
2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid structure
1261905-37-6 structure
Product Name:2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid
CAS No:1261905-37-6
MF:C16H14O4
MW:270.279964923859
MDL:MFCD18321190
CID:1219185
PubChem ID:53227079
Update Time:2025-06-13

2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid
    • MFCD18321190
    • 3'-(Methoxycarbonyl)-3-methyl[1,1'-biphenyl]-2-carboxylic acid
    • 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic acid, 95%
    • DTXSID40690666
    • 1261905-37-6
    • MDL: MFCD18321190
    • Inchi: 1S/C16H14O4/c1-10-5-3-8-13(14(10)15(17)18)11-6-4-7-12(9-11)16(19)20-2/h3-9H,1-2H3,(H,17,18)
    • InChI Key: JVADUWIYSHMBKP-UHFFFAOYSA-N
    • SMILES: OC(C1C(C)=CC=CC=1C1C=CC=C(C(=O)OC)C=1)=O

Computed Properties

  • Exact Mass: 270.08920892g/mol
  • Monoisotopic Mass: 270.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 366
  • 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: 3.3
  • Topological Polar Surface Area: 63.6?2

2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328407-5 g
2-(3-Methoxycarbonylphenyl)-6-methylbenzoic acid, 95%; .
1261905-37-6 95%
5g
€1159.00 2023-06-21
abcr
AB328407-5g
2-(3-Methoxycarbonylphenyl)-6-methylbenzoic acid, 95%; .
1261905-37-6 95%
5g
€1159.00 2025-02-14

Additional information on 2-(3-methoxycarbonylphenyl)-6-methylbenzoic Acid

Comprehensive Overview of 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid (CAS No. 1261905-37-6)

2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid (CAS No. 1261905-37-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique molecular structure, plays a pivotal role in the synthesis of advanced intermediates for drug development. The presence of both methoxycarbonyl and methylbenzoic acid functional groups makes it a versatile building block for designing novel therapeutic agents. Researchers are increasingly exploring its potential in targeting metabolic disorders and inflammatory diseases, aligning with current trends in precision medicine.

In recent years, the demand for high-purity organic intermediates like 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid has surged, driven by advancements in small-molecule drug discovery. The compound's CAS No. 1261905-37-6 is frequently searched in academic and industrial databases, reflecting its relevance in structure-activity relationship (SAR) studies. Its application in protease inhibitor design and kinase modulation has been highlighted in several peer-reviewed journals, making it a subject of interest for medicinal chemists.

From a synthetic chemistry perspective, 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid offers excellent reactivity due to its electron-withdrawing and electron-donating substituents. This duality enables selective functionalization, a key requirement for combinatorial chemistry approaches. Laboratories focusing on green chemistry principles are also investigating eco-friendly routes to synthesize this compound, addressing the growing emphasis on sustainable pharmaceutical manufacturing.

The compound's physicochemical properties, such as its solubility profile and thermal stability, have been extensively documented. These attributes are critical for formulators developing oral dosage forms or parenteral formulations. Notably, its logP value suggests favorable membrane permeability, a hot topic in drug delivery optimization discussions. Such characteristics align with industry efforts to improve bioavailability of challenging APIs.

Analytical methodologies for 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid quality control have evolved significantly. Modern HPLC-UV and LC-MS techniques can detect impurities at parts-per-million (ppm) levels, ensuring compliance with stringent ICH guidelines. This analytical rigor responds to regulatory demands for genotoxic impurity control in pharmaceutical ingredients—a major concern in current quality-by-design (QbD) frameworks.

Market intelligence indicates rising procurement of CAS 1261905-37-6 by contract research organizations (CROs) and virtual pharma companies. This trend mirrors the industry's shift toward outsourced drug development. Furthermore, patent landscapes reveal increasing claims incorporating this scaffold, particularly in targeted cancer therapies and autoimmune disease applications—two of the most searched therapeutic areas in biomedical literature.

Emerging computational approaches, including molecular docking and AI-driven drug design, frequently utilize 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid as a reference structure. Its well-defined crystallographic data facilitates in silico modeling studies, bridging the gap between computational predictions and experimental validation. This synergy addresses a persistent challenge in rational drug design methodologies.

Supply chain dynamics for this specialty chemical reflect broader industry patterns. Manufacturers are adopting blockchain technology for material traceability, responding to heightened regulatory scrutiny of pharmaceutical supply chains. The compound's storage conditions and shelf-life parameters are frequently updated in technical datasheets, catering to good distribution practices (GDP) requirements.

Academic curricula increasingly feature CAS 1261905-37-6 as a case study in advanced organic synthesis courses. Its stepwise preparation demonstrates key concepts like protecting group strategies and regioselective reactions—topics generating substantial engagement in chemistry education forums. This educational visibility further cements its status as a reference compound in synthetic methodology development.

Looking ahead, 2-(3-Methoxycarbonylphenyl)-6-methylbenzoic Acid is poised to maintain its relevance as research explores polypharmacology approaches. Its structural features enable simultaneous interaction with multiple biological targets, a strategy gaining traction in complex disease treatment. Continuous optimization of its synthetic routes and derivative libraries will likely yield novel compounds addressing unmet medical needs across therapeutic domains.

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