Cas no 1261921-91-8 (4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid)

4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid is a specialized aromatic carboxylic acid derivative featuring a chloro-hydroxyphenyl moiety and a methoxy substituent. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its multifunctional structure, which allows for further derivatization or use as an intermediate in complex molecule synthesis. The presence of both hydroxyl and carboxylic acid groups enhances its reactivity, enabling selective modifications, while the chloro and methoxy substituents contribute to its steric and electronic properties. Its well-defined molecular architecture makes it suitable for applications in medicinal chemistry, particularly in the development of biologically active compounds or as a scaffold for drug discovery.
4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid structure
1261921-91-8 structure
Product Name:4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid
CAS No:1261921-91-8
MF:C14H11ClO4
MW:278.687743425369
MDL:MFCD18320977
CID:2763653
PubChem ID:53226868
Update Time:2025-10-18

4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1261921-91-8
    • 2'-Chloro-5'-hydroxy-3-methoxy[1,1'-biphenyl]-4-carboxylic acid
    • 4-(2-CHLORO-5-HYDROXYPHENYL)-2-METHOXYBENZOIC ACID
    • 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid, 95%
    • DTXSID60690486
    • MFCD18320977
    • 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid
    • MDL: MFCD18320977
    • Inchi: 1S/C14H11ClO4/c1-19-13-6-8(2-4-10(13)14(17)18)11-7-9(16)3-5-12(11)15/h2-7,16H,1H3,(H,17,18)
    • InChI Key: GYRAJEPKCNSHHX-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1C1C=CC(C(=O)O)=C(C=1)OC)O

Computed Properties

  • Exact Mass: 278.0345865Da
  • Monoisotopic Mass: 278.0345865Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 323
  • 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: 3.3
  • Topological Polar Surface Area: 66.8?2

4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328179-5 g
4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid, 95%; .
1261921-91-8 95%
5g
€1159.00 2023-04-26
abcr
AB328179-5g
4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid, 95%; .
1261921-91-8 95%
5g
€1159.00 2025-04-21

Additional information on 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid

Introduction to 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic Acid (CAS No. 1261921-91-8)

4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid, identified by its CAS number 1261921-91-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoic acid derivatives, which are widely recognized for their diverse biological activities and potential therapeutic applications.

The molecular structure of 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid consists of a benzoic acid core substituted with a 2-chloro-5-hydroxyphenyl group and a methoxy group at the 2-position. This unique arrangement of functional groups imparts distinct chemical properties that make it a valuable intermediate in synthetic chemistry and a promising candidate for further investigation in drug discovery.

In recent years, there has been growing interest in benzoic acid derivatives due to their reported anti-inflammatory, antioxidant, and anticancer properties. Studies have demonstrated that compounds with similar structural motifs can interact with various biological targets, leading to potential therapeutic benefits. The presence of both chloro and hydroxyl substituents in 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid suggests that it may exhibit enhanced binding affinity to certain enzymes and receptors, making it a compelling subject for further exploration.

One of the most intriguing aspects of this compound is its potential role in modulating cellular signaling pathways. Research has indicated that benzoic acid derivatives can influence the activity of enzymes such as cytochrome P450 monooxygenases, which are crucial in metabolizing a wide range of xenobiotics. Additionally, the hydroxyl group in the phenyl ring may contribute to its ability to act as a hydrogen bond acceptor, enhancing its interaction with biological targets.

The synthesis of 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid involves multi-step organic reactions, typically starting from readily available aromatic precursors. The chlorination and methylation steps are critical in introducing the necessary functional groups while maintaining regioselectivity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity, ensuring that the final product is suitable for further biological evaluation.

In the realm of drug discovery, 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid has shown promise as a scaffold for developing novel therapeutic agents. Its structural features allow for modifications that can fine-tune its pharmacological properties, making it adaptable for various therapeutic applications. For instance, modifications at the methoxy group could enhance solubility, while changes at the chloro or hydroxyl positions might improve bioavailability and target specificity.

Epidemiological studies have also highlighted the importance of benzoic acid derivatives in maintaining health. Certain analogs have been associated with reduced risk of chronic diseases when present in dietary components. While more research is needed to fully understand the mechanisms involved, compounds like 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid may offer insights into how these natural products contribute to human health.

The chemical stability of 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid is another area of interest. Benzoic acid derivatives are known to be susceptible to degradation under certain conditions, which can affect their efficacy in pharmaceutical applications. However, studies have shown that protective measures such as inert atmospheres and controlled storage conditions can significantly enhance their stability. This knowledge is crucial for ensuring that the compound remains effective throughout its intended use.

The analytical characterization of this compound has been extensively studied using various spectroscopic techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and infrared (IR) spectroscopy. These methods provide detailed information about its molecular structure and purity, which are essential for confirming its identity and quality before proceeding with biological assays.

In conclusion, 4-(2-Chloro-5-hydroxyphenyl)-2-methoxybenzoic acid(CAS No. 1261921-91-8) represents a fascinating compound with potential applications in pharmaceutical research and drug development. Its unique structural features and reported biological activities make it a compelling candidate for further investigation. As research continues to uncover new therapeutic targets and mechanisms, compounds like this one will play an increasingly important role in advancing medical science.

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