Cas no 1261920-94-8 (4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid)

4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid is a substituted benzoic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a chloro-methylphenyl group and a methoxy substituent, contributing to its unique physicochemical properties. The compound exhibits moderate lipophilicity, making it suitable for studies involving bioactivity and molecular interactions. Its well-defined aromatic framework allows for precise modifications in synthetic chemistry. The presence of both electron-donating (methoxy) and electron-withdrawing (chloro) groups enhances its versatility as an intermediate in organic synthesis. Analytical characterization is facilitated by its crystalline nature and distinct spectroscopic signatures. This compound may serve as a key precursor in the development of specialized fine chemicals.
4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid structure
1261920-94-8 structure
Product Name:4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid
CAS No:1261920-94-8
MF:C15H13ClO3
MW:276.714923620224
MDL:MFCD18320880
CID:2763575
PubChem ID:53226779
Update Time:2025-05-25

4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1261920-94-8
    • 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid, 95%
    • DTXSID30690397
    • MFCD18320880
    • 4'-Chloro-2-methoxy-3'-methyl[1,1'-biphenyl]-4-carboxylic acid
    • 4-(4-CHLORO-3-METHYLPHENYL)-3-METHOXYBENZOIC ACID
    • 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid
    • MDL： MFCD18320880
    • Inchi： 1S/C15H13ClO3/c1-9-7-10(4-6-13(9)16)12-5-3-11(15(17)18)8-14(12)19-2/h3-8H,1-2H3,(H,17,18)
    • InChI Key： XXPACWZUESRKEF-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1C)C1C=CC(C(=O)O)=CC=1OC

Computed Properties

  • Exact Mass: 276.0553220Da
  • Monoisotopic Mass: 276.0553220Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 321
  • 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: 4
  • Topological Polar Surface Area: 46.5?2

4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328082-5 g
4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid, 95%; .
 1261920-94-8 95%
5 g
 €1,159.00 2023-07-19
abcr
AB328082-5g
4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid, 95%; .
 1261920-94-8 95%
5g
 €1159.00 2025-02-21

4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid Related Literature

Additional information on 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid

Comprehensive Overview of 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid (CAS No. 1261920-94-8)

4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid (CAS No. 1261920-94-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique molecular structure, plays a pivotal role in the development of novel therapeutic agents and crop protection solutions. Its benzoic acid derivative nature, combined with chloro and methoxy functional groups, makes it a versatile intermediate in synthetic chemistry.

In recent years, the demand for 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid has surged due to its potential applications in drug discovery. Researchers are particularly interested in its role as a building block for non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. The compound's ability to modulate biological pathways has also sparked interest in its use for cancer research, aligning with the growing focus on targeted therapies and precision medicine.

From an agrochemical perspective, CAS No. 1261920-94-8 is explored for its herbicidal and fungicidal properties. With the global push toward sustainable agriculture and reduced chemical load, this compound's efficacy at low concentrations makes it a candidate for next-generation eco-friendly pesticides. Its chloro-methylphenyl moiety is particularly effective against resistant plant pathogens, addressing a critical challenge in modern farming.

The synthesis of 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid typically involves multi-step organic reactions, including Friedel-Crafts acylation and ester hydrolysis. Advanced techniques like HPLC purification ensure high purity (>98%), which is crucial for research and industrial applications. Analytical methods such as NMR spectroscopy and mass spectrometry are employed to verify its structural integrity.

Environmental and safety profiles of CAS 1261920-94-8 are rigorously evaluated. While not classified as hazardous, proper handling protocols are recommended to minimize exposure. The compound's biodegradability and low bioaccumulation potential align with green chemistry principles, a key consideration for regulatory compliance and ESG (Environmental, Social, and Governance) metrics in the chemical industry.

Market trends indicate rising interest in custom synthesis of this compound, driven by pharmaceutical outsourcing and contract research organizations (CROs). Its patent landscape reveals ongoing innovations, particularly in crystalline polymorphs to enhance solubility—a frequent search query among formulation scientists. For those sourcing 1261920-94-8, verifying supplier certifications (e.g., ISO, GMP) is essential to ensure quality.

Future research directions for 4-(4-Chloro-3-methylphenyl)-3-methoxybenzoic acid may explore its structure-activity relationships (SAR) in drug design or its synergy with biopesticides. As AI-driven molecular modeling accelerates discovery, this compound's data-rich profile makes it a valuable candidate for in silico screening libraries. Collaborative studies between academia and industry could unlock further applications in material science, such as organic semiconductors.

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