Cas no 1261896-56-3 (2-(3-Chloro-4-methoxycarbonylphenyl)phenol)

2-(3-Chloro-4-methoxycarbonylphenyl)phenol is a specialized organic compound featuring a biphenyl core substituted with a chloro group and a methoxycarbonyl moiety at the 3- and 4-positions, respectively, along with a phenolic hydroxyl group. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The chloro and ester functionalities enhance its utility in cross-coupling reactions, while the phenolic group allows for further derivatization. Its well-defined molecular architecture ensures consistent performance in complex organic transformations. The compound is typically characterized by high purity and stability, making it suitable for research and industrial applications requiring precise chemical building blocks.
2-(3-Chloro-4-methoxycarbonylphenyl)phenol structure
1261896-56-3 structure
Product Name:2-(3-Chloro-4-methoxycarbonylphenyl)phenol
CAS No:1261896-56-3
MF:C14H11ClO3
MW:262.688343286514
MDL:MFCD18313016
CID:2622170
PubChem ID:53218709
Update Time:2025-10-30

2-(3-Chloro-4-methoxycarbonylphenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL10004832
    • 2-(3-Chloro-4-methoxycarbonylphenyl)phenol, 95%
    • 1261896-56-3
    • Methyl 3-chloro-2'-hydroxy[1,1'-biphenyl]-4-carboxylate
    • DTXSID10683626
    • MFCD18313016
    • 2-(3-CHLORO-4-METHOXYCARBONYLPHENYL)PHENOL
    • 2-(3-Chloro-4-methoxycarbonylphenyl)phenol
    • MDL: MFCD18313016
    • Inchi: 1S/C14H11ClO3/c1-18-14(17)11-7-6-9(8-12(11)15)10-4-2-3-5-13(10)16/h2-8,16H,1H3
    • InChI Key: XKNJPOKFNWXGSY-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OC)C=CC(=C1)C1C=CC=CC=1O

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: 3.7
  • Topological Polar Surface Area: 46.5?2

2-(3-Chloro-4-methoxycarbonylphenyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319002-5 g
2-(3-Chloro-4-methoxycarbonylphenyl)phenol, 95%; .
1261896-56-3 95%
5g
€1159.00 2023-04-26
abcr
AB319002-5g
2-(3-Chloro-4-methoxycarbonylphenyl)phenol, 95%; .
1261896-56-3 95%
5g
€1159.00 2025-04-21

Additional information on 2-(3-Chloro-4-methoxycarbonylphenyl)phenol

Introduction to 2-(3-Chloro-4-methoxycarbonylphenyl)phenol (CAS No. 1261896-56-3)

2-(3-Chloro-4-methoxycarbonylphenyl)phenol, identified by its CAS number 1261896-56-3, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This compound belongs to a class of aromatic heterocycles that exhibit a wide range of biological activities, making it a subject of considerable interest in medicinal chemistry and drug discovery.

The structural features of 2-(3-Chloro-4-methoxycarbonylphenyl)phenol include a benzene ring substituted with both a chloro group and a methoxycarbonyl group, which are known to enhance its pharmacological properties. The presence of these functional groups makes the compound a versatile intermediate in the synthesis of various pharmacologically active molecules. Specifically, the chloro group can participate in nucleophilic substitution reactions, while the methoxycarbonyl group can serve as a protecting group for hydroxyl or amine functionalities.

In recent years, there has been growing interest in the development of novel therapeutic agents derived from aromatic compounds. The compound 2-(3-Chloro-4-methoxycarbonylphenyl)phenol has been explored in several research studies due to its potential applications in the treatment of various diseases. For instance, studies have demonstrated its role as a precursor in the synthesis of kinase inhibitors, which are crucial in the management of cancers and inflammatory disorders.

One of the most compelling aspects of 2-(3-Chloro-4-methoxycarbonylphenyl)phenol is its ability to act as a scaffold for designing molecules with enhanced binding affinity and selectivity. Researchers have leveraged its structural framework to develop inhibitors targeting specific enzymes involved in disease pathways. For example, derivatives of this compound have shown promise in inhibiting tyrosine kinases, which are overexpressed in many cancer types. This has been achieved by modifying the substituents on the benzene ring to optimize interactions with the target enzyme's active site.

The methoxycarbonyl group in 2-(3-Chloro-4-methoxycarbonylphenyl)phenol also plays a critical role in modulating the compound's solubility and metabolic stability. This feature is particularly important for drug development, as it ensures that the compound can be effectively absorbed, distributed, metabolized, and excreted by the body. Furthermore, the chloro substituent can be further functionalized through cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, to introduce additional diversity into the molecular structure.

Recent advancements in computational chemistry have enabled more efficient virtual screening and design of molecules like 2-(3-Chloro-4-methoxycarbonylphenyl)phenol. These techniques allow researchers to predict the binding affinity and pharmacokinetic properties of potential drug candidates before conducting costly wet-lab experiments. By integrating experimental data with computational models, scientists can refine their designs to maximize efficacy while minimizing side effects.

The synthesis of 2-(3-Chloro-4-methoxycarbonylphenyl)phenol involves multi-step organic transformations that highlight its synthetic utility. The process typically begins with the chlorination of a corresponding phenol derivative followed by esterification to introduce the methoxycarbonyl group. These steps require careful control of reaction conditions to ensure high yield and purity. Advances in catalytic methods have further streamlined these processes, making it possible to produce larger quantities of the compound for research and industrial applications.

The biological activity of 2-(3-Chloro-4-methoxycarbonylphenyl)phenol has been extensively studied in various cellular and animal models. Research has shown that it exhibits anti-inflammatory properties by modulating key signaling pathways involved in immune responses. Additionally, it has demonstrated neuroprotective effects in preclinical studies, suggesting potential applications in treating neurodegenerative diseases such as Alzheimer's and Parkinson's.

In conclusion, 2-(3-Chloro-4-methoxycarbonylphenyl)phenol (CAS No. 1261896-56-3) is a valuable compound with significant implications for pharmaceutical research and drug development. Its unique structural features and versatile reactivity make it an attractive scaffold for designing novel therapeutic agents. As our understanding of disease mechanisms continues to evolve, compounds like this will play an increasingly important role in developing targeted therapies that improve patient outcomes.

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