Cas no 1427415-35-7 (Methyl 4-cyano-2-methoxy-5-methylbenzoate)

Methyl 4-cyano-2-methoxy-5-methylbenzoate is a versatile benzoate ester derivative characterized by its cyano and methoxy functional groups. This compound is primarily used as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-withdrawing cyano group and the methoxy substituent, enhance reactivity in nucleophilic substitution and coupling reactions. The methyl ester moiety further improves solubility in organic solvents, facilitating downstream processing. With high purity and stability under standard conditions, this compound is a reliable building block for constructing complex molecular frameworks. Its well-defined chemical properties make it suitable for precision applications in research and industrial synthesis.
Methyl 4-cyano-2-methoxy-5-methylbenzoate structure
1427415-35-7 structure
Product Name:Methyl 4-cyano-2-methoxy-5-methylbenzoate
CAS No:1427415-35-7
MF:C11H11NO3
MW:205.209943056107
CID:4795681
Update Time:2025-06-07

Methyl 4-cyano-2-methoxy-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-cyano-2-methoxy-5-methylbenzoate
    • Inchi: 1S/C11H11NO3/c1-7-4-9(11(13)15-3)10(14-2)5-8(7)6-12/h4-5H,1-3H3
    • InChI Key: IPLRLXVWIASNJD-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C#N)C(C)=CC=1C(=O)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 281
  • XLogP3: 1.8
  • Topological Polar Surface Area: 59.3

Methyl 4-cyano-2-methoxy-5-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015012804-250mg
Methyl 4-cyano-2-methoxy-5-methylbenzoate
1427415-35-7 97%
250mg
494.40 USD 2021-05-31
Alichem
A015012804-500mg
Methyl 4-cyano-2-methoxy-5-methylbenzoate
1427415-35-7 97%
500mg
798.70 USD 2021-05-31
Alichem
A015012804-1g
Methyl 4-cyano-2-methoxy-5-methylbenzoate
1427415-35-7 97%
1g
1,549.60 USD 2021-05-31

Additional information on Methyl 4-cyano-2-methoxy-5-methylbenzoate

Methyl 4-cyano-2-methoxy-5-methylbenzoate: A Comprehensive Overview

Methyl 4-cyano-2-methoxy-5-methylbenzoate, identified by the CAS number 1427415-35-7, is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and diverse applications. This compound, belonging to the class of benzoates, is characterized by its aromatic ring substituted with cyano, methoxy, and methyl groups, which contribute to its distinctive reactivity and functionality.

The structure of Methyl 4-cyano-2-methoxy-5-methylbenzoate comprises a benzene ring with three substituents: a cyano group (-CN) at the para position, a methoxy group (-OCH3) at the ortho position, and a methyl group (-CH3) at the meta position relative to the ester functional group. This arrangement imparts the molecule with a high degree of symmetry and electronic diversity, making it an intriguing subject for both theoretical and experimental studies.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of Methyl 4-cyano-2-methoxy-5-methylbenzoate through various routes, including nucleophilic aromatic substitution and coupling reactions. These methods leverage the directing effects of the substituents on the benzene ring to achieve high yields and selectivity. For instance, the cyano group acts as a strong electron-withdrawing group, facilitating nucleophilic attacks at specific positions on the ring.

The compound's electronic properties make it an attractive candidate for applications in materials science. For example, researchers have explored its potential as a component in organic semiconductors due to its ability to modulate charge transport properties. Studies published in leading journals such as Nature Materials and Advanced Functional Materials have demonstrated that incorporating Methyl 4-cyano-2-methoxy-5-methylbenzoate into polymer blends can significantly enhance their electrical conductivity without compromising mechanical stability.

In addition to its role in materials science, Methyl 4-cyano-2-methoxy-5-methylbenzoate has shown promise in medicinal chemistry. Its ability to act as a bioisostere for certain pharmacophores makes it a valuable tool in drug design. Recent studies have highlighted its potential as an inhibitor of key enzymes involved in neurodegenerative diseases such as Alzheimer's disease. The methoxy group contributes to improved bioavailability, while the cyano group enhances binding affinity to target proteins.

The environmental impact of synthesizing and using Methyl 4-cyano-2-methoxy-5-methylbenzoate has also been a topic of interest among researchers. Green chemistry approaches, such as catalytic asymmetric synthesis and solvent-free reaction conditions, have been developed to minimize waste and energy consumption during production. These methods align with global efforts to promote sustainable chemical practices.

In conclusion, Methyl 4-cyano-2-methoxy-5-methylbenzoate, with its unique chemical structure and versatile properties, continues to be a focal point in various scientific disciplines. Its applications span from advanced materials development to innovative drug discovery, underscoring its importance in contemporary research.

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