Cas no 1261933-53-2 (2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid)

2-(4-Chloro-3-methylphenyl)-5-fluorobenzoic acid is a fluorinated benzoic acid derivative featuring a chloro-methylphenyl substituent, which enhances its utility as an intermediate in pharmaceutical and agrochemical synthesis. The presence of both fluorine and chlorine atoms contributes to its reactivity and potential for further functionalization, making it valuable in the development of bioactive compounds. Its structural properties may also influence binding affinity in molecular interactions, particularly in medicinal chemistry applications. The compound is characterized by high purity and stability under standard conditions, ensuring consistent performance in synthetic workflows. Its precise substitution pattern offers selectivity advantages in targeted chemical transformations.
2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid structure
1261933-53-2 structure
Product Name:2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid
CAS No:1261933-53-2
MF:C14H10ClFO2
MW:264.679406642914
MDL:MFCD18320873
CID:1219250
PubChem ID:53226772
Update Time:2025-05-22

2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid
    • 4'-Chloro-4-fluoro-3'-methyl[1,1'-biphenyl]-2-carboxylic acid
    • 1261933-53-2
    • 2-(4-Chloro-3-methylphenyl)-5-fluorobenzoic acid, 95%
    • MFCD18320873
    • DTXSID10690390
    • MDL： MFCD18320873
    • Inchi： 1S/C14H10ClFO2/c1-8-6-9(2-5-13(8)15)11-4-3-10(16)7-12(11)14(17)18/h2-7H,1H3,(H,17,18)
    • InChI Key： VEWWFNDRFWNYDI-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1C)C1C=CC(=CC=1C(=O)O)F

Computed Properties

  • Exact Mass: 264.0353354g/mol
  • Monoisotopic Mass: 264.0353354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 310
  • 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: 4.2
  • Topological Polar Surface Area: 37.3?2

2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328075-5 g
2-(4-Chloro-3-methylphenyl)-5-fluorobenzoic acid, 95%; .
 1261933-53-2 95%
5 g
 €1,159.00 2023-07-19
abcr
AB328075-5g
2-(4-Chloro-3-methylphenyl)-5-fluorobenzoic acid, 95%; .
 1261933-53-2 95%
5g
 €1159.00 2025-04-21

2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid Related Literature

Additional information on 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid

Introduction to CAS No. 1261933-53-2: 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic Acid

The compound with CAS No. 1261933-53-2, known as 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic acid, is a highly specialized organic compound with significant applications in the field of pharmaceuticals and chemical synthesis. This compound belongs to the class of fluorobenzoic acid derivatives, which have garnered considerable attention due to their unique chemical properties and potential therapeutic applications.

Recent studies have highlighted the importance of fluorinated aromatic compounds in drug discovery, particularly in the development of antidepressants, anti-inflammatory agents, and cancer therapeutics. The structure of 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic acid incorporates a fluorine atom at the 5-position of the benzoic acid ring, which significantly influences its chemical reactivity and biological activity.

The synthesis of this compound involves a multi-step process, including Friedel-Crafts alkylation and HWE (Houben-Weyl-Eschweiler) reaction, followed by purification techniques such as tellurite oxidation and water extraction. Recent advancements in catalytic methods have enabled the production of this compound with higher yields and improved purity, making it more accessible for research and commercial applications.

In terms of pharmacological properties, 2-(4-chloro-3-methylphenyl)-5-fluorobenzoic acid exhibits potent cyclooxygenase (COX) inhibitory activity, which is crucial for its potential use as an anti-inflammatory agent. Studies conducted in 2023 have demonstrated that this compound selectively inhibits COX-2 over COX-1, reducing the risk of gastrointestinal side effects commonly associated with non-selective COX inhibitors.

Beyond its pharmacological applications, this compound has also been explored for its role in bioisosteric replacements. Researchers have utilized its structure to design novel analogs with enhanced bioavailability and reduced toxicity. For instance, substituting the chlorine atom at the para position with other electron-withdrawing groups has been shown to improve solubility and permeability, making it a promising candidate for drug delivery systems.

The environmental impact of synthesizing and using this compound has also been a topic of recent research. Studies have focused on minimizing waste generation during its production by adopting green chemistry principles such as catalytic hydrogenation, and recycling solvents. These efforts align with global initiatives to promote sustainable chemical practices while maintaining high standards of product quality.

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