Cas no 1261852-00-9 (ethyl 2-cyano-3-methylbenzoate)

Ethyl 2-cyano-3-methylbenzoate is a versatile ester derivative featuring both cyano and methyl substituents on the benzoate framework. This compound is valued for its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the electron-withdrawing cyano group enhances reactivity in nucleophilic substitution and condensation reactions, while the methyl group contributes to steric and electronic modulation. Its ethyl ester moiety offers favorable solubility in organic solvents, facilitating further functionalization. The compound’s well-defined structure and stability under standard conditions make it a reliable building block for constructing complex molecular architectures.
ethyl 2-cyano-3-methylbenzoate structure
1261852-00-9 structure
Product Name:ethyl 2-cyano-3-methylbenzoate
CAS No:1261852-00-9
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD18396254
CID:1219145
Update Time:2025-10-30

ethyl 2-cyano-3-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-cyano-3-methylbenzoate
    • MDL: MFCD18396254
    • Inchi: 1S/C11H11NO2/c1-3-14-11(13)9-6-4-5-8(2)10(9)7-12/h4-6H,3H2,1-2H3
    • InChI Key: MTDGWEROEFKJAH-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)C1=CC=CC(C)=C1C#N

ethyl 2-cyano-3-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
D297129-5g
Ethyl 2-cyano-3-methylbenzoate
1261852-00-9 97%
5g
$1000 2023-05-06
eNovation Chemicals LLC
D297129-25g
Ethyl 2-cyano-3-methylbenzoate
1261852-00-9 97%
25g
$2000 2023-05-06

Additional information on ethyl 2-cyano-3-methylbenzoate

Ethyl 2-Cyano-3-Methylbenzoate: A Comprehensive Overview

Ethyl 2-cyano-3-methylbenzoate, with the CAS number 1261852-00-9, is a compound of significant interest in the fields of organic chemistry and materials science. This compound, also known as ethyl 3-methyl-2-cyanobenzoate, is a derivative of benzoic acid, where the carboxylic acid group is esterified with ethanol, and the benzene ring is substituted with a cyano group at the 2-position and a methyl group at the 3-position. The structure of ethyl 2-cyano-3-methylbenzoate is characterized by its aromatic ring, which contributes to its stability and reactivity in various chemical reactions.

The synthesis of ethyl 2-cyano-3-methylbenzoate typically involves multi-step organic reactions. One common approach is the esterification of 2-cyano-3-methylbenzoic acid with ethanol in the presence of an acid catalyst. This reaction is straightforward and can be optimized for high yields. Recent studies have explored alternative synthetic pathways, including microwave-assisted synthesis and catalytic methods, to enhance reaction efficiency and reduce environmental impact. These advancements highlight the ongoing efforts to develop sustainable chemical processes for the production of such compounds.

Ethyl 2-cyano-3-methylbenzoate finds applications in various areas, including pharmaceuticals, agrochemicals, and advanced materials. Its cyano group imparts electron-withdrawing properties, making it a valuable intermediate in the synthesis of heterocyclic compounds and bioactive molecules. For instance, researchers have utilized this compound as a precursor for synthesizing quinoline derivatives, which are known for their antimalarial and anticancer activities. Additionally, the methyl group at the 3-position enhances the compound's lipophilicity, making it suitable for applications requiring improved drug delivery properties.

Recent studies have focused on the electrochemical properties of ethyl 2-cyano-3-methylbenzoate, particularly its potential as an electrolyte in energy storage devices such as supercapacitors and batteries. The compound's ability to form stable interfaces with electrodes has been investigated, showing promising results for high-energy density applications. Furthermore, its use as a building block in polymer synthesis has been explored, with researchers demonstrating its role in creating novel polymeric materials with tailored mechanical and thermal properties.

In terms of toxicity and environmental impact, ethyl 2-cyano-3-methylbenzoate has undergone preliminary assessments to evaluate its safety profile. Studies indicate that it exhibits low acute toxicity in standard assays; however, further research is required to fully understand its long-term effects on human health and ecosystems. Regulatory bodies are increasingly emphasizing the need for comprehensive risk assessments for chemicals like ethyl 2-cyano-3-methylbenzoate to ensure their safe handling and disposal.

The market demand for ethyl 2-cyano-3-methylbenzoate has grown steadily due to its versatility across multiple industries. Key drivers include advancements in pharmaceutical research, increasing demand for high-performance materials, and the development of eco-friendly synthetic methods. Major manufacturers are investing in scaling up production capacities to meet this growing demand while adhering to stringent quality control standards.

Looking ahead, ethyl 2-cyano-3-methylbenzoate is expected to play an even more prominent role in cutting-edge research areas such as nanotechnology and green chemistry. Its unique combination of functional groups makes it an ideal candidate for designing next-generation materials with unprecedented properties. As research continues to uncover new applications and improve synthetic methodologies, ethyl 2-cyano-3-methylbenzoate will undoubtedly remain a focal point in both academic and industrial settings.

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