Cas no 1262006-07-4 (2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid)

2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid is a specialized aromatic carboxylic acid derivative featuring both chloro and fluoro substituents, along with a methoxycarbonyl functional group. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of electron-withdrawing groups enhances its reactivity in cross-coupling reactions and other transformations. Its structural complexity allows for precise modifications in drug design, contributing to improved bioavailability and target specificity. The compound’s high purity and stability make it suitable for research and industrial applications requiring consistent performance. Its synthesis is optimized for scalability, ensuring reliable supply for advanced chemical processes.
2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid structure
1262006-07-4 structure
Product Name:2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid
CAS No:1262006-07-4
MF:C15H10ClFO4
MW:308.688907146454
MDL:MFCD18322627
CID:2622327
PubChem ID:53228446
Update Time:2025-10-20

2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1262006-07-4
    • MFCD18322627
    • 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid, 95%
    • 2-(2-CHLORO-5-METHOXYCARBONYLPHENYL)-6-FLUOROBENZOIC ACID
    • DTXSID20691979
    • 2'-Chloro-3-fluoro-5'-(methoxycarbonyl)[1,1'-biphenyl]-2-carboxylic acid
    • 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid
    • MDL: MFCD18322627
    • Inchi: 1S/C15H10ClFO4/c1-21-15(20)8-5-6-11(16)10(7-8)9-3-2-4-12(17)13(9)14(18)19/h2-7H,1H3,(H,18,19)
    • InChI Key: QFWJJTMHUXVGCB-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)OC)C=C1C1C=CC=C(C=1C(=O)O)F

Computed Properties

  • Exact Mass: 308.0251647Da
  • Monoisotopic Mass: 308.0251647Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 403
  • 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-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329904-5 g
2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid, 95%; .
1262006-07-4 95%
5g
€1159.00 2023-04-26
abcr
AB329904-5g
2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid, 95%; .
1262006-07-4 95%
5g
€1159.00 2025-04-21

2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid Related Literature

Additional information on 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid

2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic Acid: A Comprehensive Overview

The compound 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid (CAS No. 1262006-07-4) is a highly specialized organic molecule with significant applications in the fields of pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with a chloro group at the 2-position and a methoxycarbonyl group at the 5-position of the phenyl ring. Additionally, the presence of a fluorine atom at the 6-position of the benzoic acid ring further enhances its chemical reactivity and biological activity.

Recent studies have highlighted the potential of 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid in drug discovery, particularly in the development of novel anti-inflammatory and antiviral agents. The compound's ability to modulate key cellular pathways has been extensively investigated, with promising results in preclinical models. For instance, researchers have demonstrated that this compound exhibits potent inhibitory activity against cyclooxygenase-2 (COX-2), an enzyme closely associated with inflammation and pain. Furthermore, its antiviral properties have been explored in the context of emerging viral pathogens, showcasing its potential as a broad-spectrum antiviral agent.

The synthesis of 1262006-07-4 involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. The incorporation of fluorine into the molecule is particularly challenging due to its high electronegativity and reactivity. However, recent advancements in fluorination chemistry have enabled researchers to achieve high yields and excellent purity levels. The use of transition metal catalysts, such as palladium complexes, has significantly streamlined the synthesis process, making it more efficient and scalable for industrial applications.

In terms of physical properties, 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid exhibits a melting point of approximately 185°C and is sparingly soluble in water but highly soluble in organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for various analytical techniques, including high-performance liquid chromatography (HPLC) and mass spectrometry (MS), which are commonly used for quality control and characterization purposes.

From an environmental perspective, the compound has been subjected to rigorous toxicity testing to assess its potential impact on aquatic ecosystems. Results indicate that it is relatively non-toxic to aquatic organisms at concentrations typically encountered in industrial settings. However, further studies are required to fully understand its long-term ecological effects and degradation pathways under various environmental conditions.

Looking ahead, the development of 1262006-07-4 into a commercial product will depend on its ability to meet stringent regulatory requirements and demonstrate superior efficacy compared to existing therapies. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate its progression through clinical trials, particularly in light of its promising preclinical data.

In conclusion, 2-(2-Chloro-5-methoxycarbonylphenyl)-6-fluorobenzoic acid represents a cutting-edge molecule with immense potential in multiple therapeutic areas. Its unique chemical structure, coupled with advancements in synthetic chemistry and biological research, positions it as a key player in the development of next-generation drugs and agrochemicals. As research continues to uncover new applications and optimize its properties, this compound is poised to make significant contributions to both scientific innovation and human health.

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