Cas no 1807175-21-8 (Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate)

Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate is a versatile benzoate derivative featuring a cyano group, hydroxymethyl substituent, and methoxy functionality. This compound is valued for its multifunctional reactivity, making it a useful intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both electron-withdrawing (cyano) and electron-donating (hydroxymethyl, methoxy) groups enhances its utility in regioselective reactions. Its ester group allows for further derivatization, while the hydroxymethyl moiety offers opportunities for functional group interconversion. The compound's well-defined structure and stability under standard conditions make it a reliable building block for constructing complex heterocycles and fine chemicals.
Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate structure
1807175-21-8 structure
Product Name:Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate
CAS No:1807175-21-8
MF:C11H11NO4
MW:221.209343194962
CID:4952106
Update Time:2025-06-23

Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate
    • Inchi: 1S/C11H11NO4/c1-15-10-8(5-12)3-7(6-13)4-9(10)11(14)16-2/h3-4,13H,6H2,1-2H3
    • InChI Key: USXPEGAGVYMQJO-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C#N)=CC(CO)=CC=1C(=O)OC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 296
  • XLogP3: 0.6
  • Topological Polar Surface Area: 79.6

Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015012257-250mg
Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate
1807175-21-8 97%
250mg
470.40 USD 2021-06-21
Alichem
A015012257-500mg
Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate
1807175-21-8 97%
500mg
847.60 USD 2021-06-21
Alichem
A015012257-1g
Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate
1807175-21-8 97%
1g
1,519.80 USD 2021-06-21

Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate Related Literature

Additional information on Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate

Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate: A Comprehensive Overview

The compound Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate, identified by the CAS number 1807175-21-8, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique molecular structure, which includes a benzoate backbone substituted with cyano, hydroxymethyl, and methoxy groups. The combination of these functional groups imparts distinctive chemical properties, making it a subject of interest in both academic and industrial research.

Recent studies have highlighted the potential of Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate in the development of advanced materials, particularly in the realm of organic electronics. The cyano group, known for its electron-withdrawing properties, plays a crucial role in modulating the electronic characteristics of the compound. This makes it a promising candidate for applications in semiconductors and organic light-emitting diodes (OLEDs). Researchers have demonstrated that the compound's ability to form stable π-conjugated systems enhances its performance in such devices.

In addition to its electronic properties, Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate has shown potential in medicinal chemistry. The hydroxymethyl group introduces hydrophilic properties, which can be advantageous in drug design for improving bioavailability. Recent findings suggest that this compound may serve as a lead molecule for developing new pharmaceutical agents targeting specific biological pathways. Its ability to interact with biomolecules through hydrogen bonding and π-π interactions has been extensively studied, further underscoring its relevance in this field.

The synthesis of Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate involves a multi-step process that typically begins with the preparation of the benzoic acid derivative. Advanced synthetic techniques, such as Suzuki coupling and esterification reactions, are employed to achieve high yields and purity. The methoxy group is introduced via nucleophilic substitution, while the cyano group is incorporated through cyanation reactions. These methods have been optimized based on recent advancements in organic synthesis, ensuring scalability and reproducibility.

From an environmental perspective, the stability and biodegradability of Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate have been evaluated to assess its ecological impact. Studies indicate that the compound exhibits moderate biodegradability under aerobic conditions, with microbial degradation being a key pathway. However, further research is required to fully understand its long-term environmental fate and potential risks.

In terms of industrial applications, the compound's compatibility with various manufacturing processes has been explored. Its thermal stability and resistance to oxidation make it suitable for high-temperature applications. Recent collaborations between academic institutions and industry partners have focused on scaling up production methods to meet growing demand across multiple sectors.

The versatility of Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate is further evident in its use as a precursor for more complex molecules. By leveraging its functional groups as reactive sites, chemists can tailor its structure to suit specific applications. For instance, substitution reactions involving the hydroxymethyl group have been utilized to create derivatives with enhanced functionalities.

In conclusion, Methyl 3-cyano-5-hydroxymethyl-2-methoxybenzoate stands out as a versatile and intriguing compound with diverse applications across multiple disciplines. Its unique combination of functional groups provides a foundation for innovative research and development efforts. As scientific understanding continues to evolve, this compound is poised to play an increasingly important role in advancing technology and medicine.

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