Cas no 1804908-37-9 (Methyl 5-cyano-2,4-dihydroxybenzoate)

Methyl 5-cyano-2,4-dihydroxybenzoate structure
1804908-37-9 structure
Product Name:Methyl 5-cyano-2,4-dihydroxybenzoate
CAS No:1804908-37-9
MF:C9H7NO4
MW:193.156182527542
CID:4795517
Update Time:2025-07-18

Methyl 5-cyano-2,4-dihydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-cyano-2,4-dihydroxybenzoate
    • Inchi: 1S/C9H7NO4/c1-14-9(13)6-2-5(4-10)7(11)3-8(6)12/h2-3,11-12H,1H3
    • InChI Key: QDCCRZXCKIICTQ-UHFFFAOYSA-N
    • SMILES: OC1C=C(C(C#N)=CC=1C(=O)OC)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 269
  • XLogP3: 1.9
  • Topological Polar Surface Area: 90.6

Methyl 5-cyano-2,4-dihydroxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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Additional information on Methyl 5-cyano-2,4-dihydroxybenzoate

Methyl 5-cyano-2,4-dihydroxybenzoate (CAS No. 1804908-37-9): A Comprehensive Overview

Methyl 5-cyano-2,4-dihydroxybenzoate (CAS No. 1804908-37-9) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, plays a crucial role in various biochemical pathways and therapeutic applications. Its molecular structure, featuring both hydroxyl and cyano functional groups, makes it a versatile intermediate in the synthesis of complex molecules.

The Methyl 5-cyano-2,4-dihydroxybenzoate molecule is derived from benzoic acid and undergoes a series of chemical modifications to achieve its current form. The presence of hydroxyl groups at the 2nd and 4th positions, combined with a cyano group at the 5th position, endows it with distinct reactivity and solubility characteristics. These features make it an invaluable building block in the development of pharmaceuticals, agrochemicals, and specialty chemicals.

In recent years, the study of Methyl 5-cyano-2,4-dihydroxybenzoate has been extensively explored for its potential applications in medicinal chemistry. Researchers have been particularly interested in its role as a precursor in the synthesis of bioactive compounds that exhibit antimicrobial, anti-inflammatory, and antioxidant properties. The compound's ability to interact with various biological targets has opened new avenues for drug discovery and development.

One of the most notable areas of research involving Methyl 5-cyano-2,4-dihydroxybenzoate is its application in the synthesis of novel heterocyclic compounds. Heterocycles are essential scaffolds in many pharmacologically active molecules, and the incorporation of cyano and hydroxyl groups into these structures can significantly enhance their biological activity. Recent studies have demonstrated that derivatives of Methyl 5-cyano-2,4-dihydroxybenzoate exhibit promising effects in modulating enzyme activity and cellular signaling pathways.

The chemical reactivity of Methyl 5-cyano-2,4-dihydroxybenzoate also makes it a valuable tool in synthetic organic chemistry. Its cyano group can be readily converted into other functional groups such as carboxylic acids, amides, and esters, while its hydroxyl groups can participate in etherification and esterification reactions. This flexibility allows chemists to tailor the compound's properties for specific applications.

In the realm of pharmaceutical research, Methyl 5-cyano-2,4-dihydroxybenzoate has been investigated for its potential role in treating various diseases. For instance, studies have shown that certain derivatives of this compound can inhibit the growth of cancer cells by targeting key molecular pathways involved in cell proliferation and apoptosis. Additionally, its anti-inflammatory properties have been explored in the context of developing treatments for chronic inflammatory conditions such as rheumatoid arthritis.

The synthesis of Methyl 5-cyano-2,4-dihydroxybenzoate involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as catalytic hydrogenation, nucleophilic substitution, and condensation reactions are commonly employed to achieve high yields and purity. The optimization of these synthetic routes is crucial for ensuring that the final product meets the stringent requirements of pharmaceutical applications.

The environmental impact of synthesizing and using Methyl 5-cyano-2,4-dihydroxybenzoate is also a subject of interest. Researchers are increasingly focusing on developing greener synthetic methods that minimize waste generation and reduce energy consumption. Techniques such as flow chemistry and biocatalysis are being explored as alternatives to traditional batch processing methods.

In conclusion, Methyl 5-cyano-2,4-dihydroxybenzoate (CAS No. 1804908-37-9) is a multifaceted compound with significant potential in pharmaceutical research and industrial applications. Its unique structural features and reactivity make it a valuable intermediate in the synthesis of bioactive molecules. As research continues to uncover new applications for this compound, its importance in advancing chemical and medicinal sciences is likely to grow.

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