Cas no 1240598-21-3 (ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate)

Ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate is a versatile pyrimidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its reactive chloromethyl group enables efficient functionalization, making it valuable for constructing complex heterocyclic frameworks. The ester moiety provides additional reactivity for further derivatization, while the methyl substitution enhances stability and selectivity in subsequent reactions. This compound is particularly useful in the development of agrochemicals, medicinal compounds, and specialty chemicals. Its well-defined structure and high purity ensure consistent performance in synthetic applications. Proper handling is required due to the reactive chloromethyl group, but its synthetic utility makes it a preferred choice for targeted molecular modifications.
ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate structure
1240598-21-3 structure
Product Name:ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate
CAS No:1240598-21-3
MF:C9H11ClN2O2
MW:214.648841142654
CID:4579976
Update Time:2025-07-22

ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate
    • 4-Pyrimidinecarboxylic acid, 2-(chloromethyl)-6-methyl-, ethyl ester
    • Inchi: 1S/C9H11ClN2O2/c1-3-14-9(13)7-4-6(2)11-8(5-10)12-7/h4H,3,5H2,1-2H3
    • InChI Key: SUFUMXCNBOXKIJ-UHFFFAOYSA-N
    • SMILES: C1(CCl)=NC(C)=CC(C(OCC)=O)=N1

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Additional information on ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate

Ethyl 2-(Chloromethyl)-6-Methylpyrimidine-4-Carboxylate: A Comprehensive Overview

Ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate, identified by the CAS number 1240598-21-3, is a significant compound in the field of organic chemistry and pharmacology. This compound belongs to the class of pyrimidine derivatives, which have garnered substantial attention due to their diverse biological activities and potential applications in drug development.

The structure of ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate comprises a pyrimidine ring substituted with a chloromethyl group at position 2, a methyl group at position 6, and an ethoxycarbonyl group at position 4. This substitution pattern contributes to its unique chemical properties and reactivity. The pyrimidine ring itself is a six-membered aromatic heterocycle with two nitrogen atoms at positions 1 and 3, making it structurally similar to nucleic bases such as thymine and cytosine.

Recent studies have highlighted the importance of pyrimidine derivatives in various therapeutic areas, including antiviral, anticancer, and anti-inflammatory treatments. For instance, research published in the Journal of Medicinal Chemistry has demonstrated that certain pyrimidine analogs exhibit potent inhibitory effects against key enzymes involved in viral replication, making them promising candidates for antiviral drug development.

Ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate has also been explored as an intermediate in the synthesis of more complex molecules with enhanced biological activity. Its chloromethyl group provides a site for further functionalization, enabling the creation of derivatives with tailored properties. This versatility underscores its value in medicinal chemistry research.

In terms of synthesis, ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate can be prepared through various routes, including nucleophilic substitution and condensation reactions. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, leading to higher yields and purer products.

Moreover, computational studies have been conducted to predict the pharmacokinetic properties of this compound. These studies utilize molecular modeling techniques to assess parameters such as solubility, permeability, and metabolic stability, which are critical for determining its potential as a drug candidate.

Ethical considerations are paramount in the research and development of such compounds. Ensuring that all experiments comply with safety protocols and environmental regulations is essential to minimize risks associated with chemical handling.

In conclusion, ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate represents a valuable compound in contemporary chemical research due to its structural diversity and potential applications in therapeutics. As ongoing studies continue to uncover new insights into its properties and uses, this compound remains at the forefront of scientific innovation.

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