Cas no 1261902-22-0 (4-Chloro-2-(3-methoxyphenyl)benzoic acid)

4-Chloro-2-(3-methoxyphenyl)benzoic acid is a substituted benzoic acid derivative featuring both chloro and methoxy functional groups, which contribute to its utility in organic synthesis and pharmaceutical research. The compound's distinct structure makes it a valuable intermediate for the development of more complex molecules, particularly in medicinal chemistry. Its aromatic and carboxylic acid functionalities allow for further derivatization, enabling applications in ligand design and drug discovery. The presence of electron-donating (methoxy) and electron-withdrawing (chloro) groups enhances its reactivity in electrophilic and nucleophilic substitution reactions. This compound is typically characterized by high purity and stability, ensuring reliable performance in synthetic workflows.
4-Chloro-2-(3-methoxyphenyl)benzoic acid structure
1261902-22-0 structure
Product Name:4-Chloro-2-(3-methoxyphenyl)benzoic acid
CAS No:1261902-22-0
MF:C14H11ClO3
MW:262.688343286514
MDL:MFCD18319509
CID:2762320
PubChem ID:53225427
Update Time:2025-06-15

4-Chloro-2-(3-methoxyphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-CHLORO-2-(3-METHOXYPHENYL)BENZOIC ACID
    • MFCD18319509
    • 5-Chloro-3'-methoxy[1,1'-biphenyl]-2-carboxylic acid
    • 1261902-22-0
    • 4-Chloro-2-(3-methoxyphenyl)benzoic acid, 95%
    • DTXSID20689159
    • 4-Chloro-2-(3-methoxyphenyl)benzoic acid
    • MDL: MFCD18319509
    • Inchi: 1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)13-8-10(15)5-6-12(13)14(16)17/h2-8H,1H3,(H,16,17)
    • InChI Key: LZFQHXVFHVGJNX-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C(=O)O)=C(C=1)C1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 262.0396719Da
  • Monoisotopic Mass: 262.0396719Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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-Chloro-2-(3-methoxyphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326556-5 g
4-Chloro-2-(3-methoxyphenyl)benzoic acid, 95%; .
1261902-22-0 95%
5g
€1159.00 2023-04-26
abcr
AB326556-5g
4-Chloro-2-(3-methoxyphenyl)benzoic acid, 95%; .
1261902-22-0 95%
5g
€1159.00 2025-04-21

Additional information on 4-Chloro-2-(3-methoxyphenyl)benzoic acid

Introduction to 4-Chloro-2-(3-methoxyphenyl)benzoic acid (CAS No. 1261902-22-0)

4-Chloro-2-(3-methoxyphenyl)benzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261902-22-0, is a significant compound in the realm of pharmaceutical and chemical research. This benzoic acid derivative features a chloro substituent at the fourth position and a methoxy group at the third position of the phenyl ring, making it a structurally intriguing molecule with potential applications in medicinal chemistry and synthetic organic chemistry.

The molecular structure of 4-Chloro-2-(3-methoxyphenyl)benzoic acid contributes to its unique chemical properties, which have been the subject of extensive investigation in recent years. The presence of both electron-withdrawing and electron-donating groups enhances its reactivity, making it a valuable intermediate in the synthesis of more complex molecules. Specifically, the chloro group at the fourth position facilitates nucleophilic aromatic substitution reactions, while the methoxy group at the third position can participate in various functionalization strategies, including oxidation and reduction processes.

In recent years, researchers have been exploring the pharmacological potential of 4-Chloro-2-(3-methoxyphenyl)benzoic acid and its derivatives. Studies have suggested that this compound may exhibit anti-inflammatory, antioxidant, and even anticancer properties. The benzoic acid core is well-known for its biological activity, and modifications to this scaffold can lead to compounds with enhanced efficacy and selectivity. For instance, derivatives of benzoic acid have been shown to modulate enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in inflammatory pathways.

One of the most compelling aspects of 4-Chloro-2-(3-methoxyphenyl)benzoic acid is its role as a building block in drug discovery. The ability to introduce diverse functional groups into this molecule allows chemists to fine-tune its pharmacological profile. Recent advances in computational chemistry have enabled researchers to predict the binding affinity of this compound to various biological targets with high accuracy. This has led to the identification of novel analogs with improved pharmacokinetic properties, such as enhanced solubility and reduced toxicity.

The synthesis of 4-Chloro-2-(3-methoxyphenyl)benzoic acid has also seen significant advancements. Traditional synthetic routes often involve multi-step processes that can be time-consuming and require expensive reagents. However, modern methodologies have streamlined these processes, making it more feasible to produce this compound on an industrial scale. For example, catalytic methods have been developed that allow for the direct functionalization of benzoic acid derivatives without the need for harsh conditions or excessive byproducts.

Another area of interest is the application of 4-Chloro-2-(3-methoxyphenyl)benzoic acid in material science. The unique electronic properties of this compound make it a promising candidate for use in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic cells. Researchers have demonstrated that incorporating this molecule into these systems can improve their performance by enhancing charge transport and light emission properties.

The environmental impact of synthesizing and using 4-Chloro-2-(3-methoxyphenyl)benzoic acid is also a critical consideration. Efforts are being made to develop greener synthetic routes that minimize waste and reduce energy consumption. For instance, biocatalytic methods using enzymes have been explored as an alternative to traditional chemical synthesis. These approaches not only reduce environmental impact but also offer improved selectivity and yield.

In conclusion, 4-Chloro-2-(3-methoxyphenyl)benzoic acid (CAS No. 1261902-22-0) is a versatile compound with numerous applications in pharmaceuticals, materials science, and environmental chemistry. Its unique structural features make it an attractive candidate for further research, leading to potential breakthroughs in drug development and sustainable chemical manufacturing.

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