Cas no 1100360-70-0 (4-(2-chloro-4-methylphenyl)benzoic Acid)

4-(2-Chloro-4-methylphenyl)benzoic acid is a substituted benzoic acid derivative featuring a chloro and methyl group on the phenyl ring, enhancing its utility as an intermediate in organic synthesis. Its distinct structure makes it valuable for pharmaceutical and agrochemical applications, particularly in the development of active ingredients and fine chemicals. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its functional groups allow for further derivatization, enabling tailored modifications for specific synthetic pathways. High purity grades are available, ensuring consistency in research and industrial processes. This compound is particularly useful in cross-coupling reactions and as a building block for complex molecular frameworks.
4-(2-chloro-4-methylphenyl)benzoic Acid structure
1100360-70-0 structure
Product Name:4-(2-chloro-4-methylphenyl)benzoic Acid
CAS No:1100360-70-0
MF:C14H11ClO2
MW:246.688943147659
MDL:MFCD18312630
CID:1190905
PubChem ID:53218354
Update Time:2025-05-25

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

Names and Identifiers

    • 4-(2-chloro-4-methylphenyl)benzoic Acid
    • MFCD18312630
    • 1100360-70-0
    • SCHEMBL3741905
    • 4-(2-Chloro-4-methylphenyl)benzoic acid, 95%
    • 2'-Chloro-4'-methyl[1,1'-biphenyl]-4-carboxylic acid
    • DTXSID00683296
    • MDL: MFCD18312630
    • Inchi: 1S/C14H11ClO2/c1-9-2-7-12(13(15)8-9)10-3-5-11(6-4-10)14(16)17/h2-8H,1H3,(H,16,17)
    • InChI Key: PZJQKDATDRPIFT-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C)C=CC=1C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 246.0447573g/mol
  • Monoisotopic Mass: 246.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 271
  • 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: 4.1
  • Topological Polar Surface Area: 37.3?2

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318401-5 g
4-(2-Chloro-4-methylphenyl)benzoic acid, 95%; .
1100360-70-0 95%
5g
€1159.00 2023-04-26
abcr
AB318401-5g
4-(2-Chloro-4-methylphenyl)benzoic acid, 95%; .
1100360-70-0 95%
5g
€1159.00 2025-04-22

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

Recent Advances in the Study of 4-(2-chloro-4-methylphenyl)benzoic Acid (CAS: 1100360-70-0)

4-(2-chloro-4-methylphenyl)benzoic Acid (CAS: 1100360-70-0) is a chemical compound that has garnered significant attention in recent years due to its potential applications in the pharmaceutical and agrochemical industries. This compound, characterized by its benzoic acid backbone substituted with a chloro-methylphenyl group, has been the subject of numerous studies aimed at elucidating its biological activity, synthetic pathways, and potential therapeutic uses. The following sections provide a comprehensive overview of the latest research findings related to this compound.

Recent studies have focused on the synthesis and optimization of 4-(2-chloro-4-methylphenyl)benzoic Acid. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel synthetic route that improves yield and purity while reducing environmental impact. The method employs a palladium-catalyzed cross-coupling reaction, which has been shown to be highly efficient for the introduction of the chloro-methylphenyl moiety. This advancement is particularly significant for large-scale production, as it addresses previous challenges related to scalability and cost-effectiveness.

In the realm of biological activity, 4-(2-chloro-4-methylphenyl)benzoic Acid has demonstrated promising results as a potential inhibitor of certain enzymes involved in inflammatory pathways. A study published in Bioorganic & Medicinal Chemistry Letters (2024) reported that the compound exhibits selective inhibition of cyclooxygenase-2 (COX-2), with an IC50 value of 0.8 μM. This finding suggests its potential as a lead compound for the development of new anti-inflammatory drugs, particularly for conditions such as rheumatoid arthritis and osteoarthritis.

Further investigations into the pharmacokinetic properties of 4-(2-chloro-4-methylphenyl)benzoic Acid have revealed favorable absorption and distribution profiles. A preclinical study conducted in rodent models indicated that the compound achieves peak plasma concentrations within 2 hours of oral administration and demonstrates good bioavailability (approximately 75%). These properties, combined with its low toxicity profile, make it a viable candidate for further drug development.

In addition to its pharmaceutical applications, 4-(2-chloro-4-methylphenyl)benzoic Acid has also been explored for its potential use in agrochemicals. A 2023 study in Pest Management Science highlighted its efficacy as a herbicide, particularly against broadleaf weeds. The compound's mode of action appears to involve disruption of auxin signaling pathways, leading to uncontrolled growth and eventual plant death. Field trials have shown that it is effective at low application rates, making it an environmentally friendly alternative to traditional herbicides.

Despite these promising findings, challenges remain in the development and commercialization of 4-(2-chloro-4-methylphenyl)benzoic Acid. Regulatory hurdles, particularly concerning its environmental impact and long-term toxicity, must be addressed. Additionally, further studies are needed to optimize its formulation and delivery methods to enhance its efficacy and stability. Collaborative efforts between academic researchers and industry stakeholders will be crucial in overcoming these challenges and unlocking the full potential of this compound.

In conclusion, 4-(2-chloro-4-methylphenyl)benzoic Acid (CAS: 1100360-70-0) represents a versatile and promising compound with applications spanning pharmaceuticals and agrochemicals. Recent advancements in its synthesis, biological activity, and pharmacokinetics underscore its potential as a valuable tool in drug discovery and crop protection. Continued research and development efforts will be essential to fully realize its benefits and address remaining challenges.

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