Cas no 126926-40-7 (Methyl 3-(Ethylcarbamoyl)benzoate)

Methyl 3-(Ethylcarbamoyl)benzoate is a benzoate ester derivative featuring an ethylcarbamoyl substituent at the meta-position. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity as an intermediate. The ethylcarbamoyl group enhances its utility in amide bond formation, while the ester functionality allows for further derivatization under mild conditions. Its well-defined structure and stability under standard handling conditions make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound is typically characterized by high purity and consistent performance in synthetic workflows.
Methyl 3-(Ethylcarbamoyl)benzoate structure
126926-40-7 structure
Product Name:Methyl 3-(Ethylcarbamoyl)benzoate
CAS No:126926-40-7
MF:C11H13NO3
MW:207.225823163986
CID:176547
Update Time:2025-10-29

Methyl 3-(Ethylcarbamoyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-[(ethylamino)carbonyl]-, methyl ester
    • Methyl 3-(Ethylcarbamoyl)benzoate
    • Inchi: 1S/C11H13NO3/c1-3-12-10(13)8-5-4-6-9(7-8)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)
    • InChI Key: NQHDZWZUXLGRST-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C(=O)OC)C=1)NCC

Computed Properties

  • Exact Mass: 207.08959

Experimental Properties

  • PSA: 55.4

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Additional information on Methyl 3-(Ethylcarbamoyl)benzoate

Methyl 3-(Ethylcarbamoyl)benzoate (CAS No. 126926-40-7): A Comprehensive Overview in Modern Chemical and Pharmaceutical Research

Methyl 3-(Ethylcarbamoyl)benzoate, identified by its chemical abstracts service number CAS No. 126926-40-7, is a compound of significant interest in the realm of chemical and pharmaceutical research. This ester derivative of benzoic acid features an ethylcarbamoyl group at the third position, which imparts unique structural and functional properties. The compound has garnered attention due to its potential applications in drug development, particularly as a precursor or intermediate in synthesizing bioactive molecules.

The molecular structure of Methyl 3-(Ethylcarbamoyl)benzoate consists of a benzoate backbone with an ethylcarbamoyl substituent. This configuration suggests possible interactions with biological targets, making it a candidate for further exploration in medicinal chemistry. The benzoate moiety is well-known for its role in various pharmacological agents, while the ethylcarbamoyl group can enhance solubility and metabolic stability, crucial factors in drug design.

Recent advancements in computational chemistry have enabled more efficient screening of such compounds for their pharmacological potential. Studies have indicated that derivatives of benzoic acid, including Methyl 3-(Ethylcarbamoyl)benzoate, may exhibit properties relevant to neurological and anti-inflammatory applications. The ethylcarbamoyl group, in particular, has been studied for its ability to modulate enzyme activity and receptor binding.

In the context of drug discovery, the synthesis of Methyl 3-(Ethylcarbamoyl)benzoate has been optimized using modern catalytic methods. These methods not only improve yield but also reduce environmental impact, aligning with the growing emphasis on sustainable chemistry. The compound’s versatility as an intermediate allows for further functionalization, opening doors to a wide array of potential therapeutic agents.

One of the most promising areas of research involving Methyl 3-(Ethylcarbamoyl)benzoate is its role in developing novel anti-inflammatory agents. In vitro studies have shown that certain benzoate derivatives can inhibit key enzymes involved in inflammatory pathways, such as COX-2 and LOX. The presence of the ethylcarbamoyl group may enhance these inhibitory effects by improving binding affinity to target proteins.

Additionally, the compound has been explored for its potential neuroprotective properties. Preliminary research suggests that Methyl 3-(Ethylcarbamoyl)benzoate may interact with neurotransmitter receptors, potentially offering benefits in treating neurodegenerative diseases. These findings are particularly intriguing given the increasing prevalence of such conditions worldwide.

The synthesis and characterization of Methyl 3-(Ethylcarbamoyl)benzoate have also contributed to our understanding of ester chemistry. Researchers have utilized advanced spectroscopic techniques to elucidate its molecular structure and dynamics. These insights are valuable for designing more complex molecules with tailored properties.

As interest in natural product-inspired drug design grows, Methyl 3-(Ethylcarbamoyl)benzoate serves as an excellent example of how synthetic chemistry can mimic biologically active compounds. Its structural features allow it to mimic natural products while offering improved pharmacokinetic profiles. This duality makes it a valuable tool in both academic research and industrial drug development.

The future prospects for Methyl 3-(Ethylcarbamoyl)benzoate are vast, with ongoing studies focusing on its pharmacological effects and synthetic applications. Collaborative efforts between academia and industry are likely to accelerate the translation of laboratory findings into clinical candidates. As computational methods continue to evolve, the efficiency of screening compounds like this one will only improve.

In conclusion, Methyl 3-(Ethylcarbamoyl)benzoate (CAS No. 126926-40-7) represents a significant advancement in chemical and pharmaceutical research. Its unique structure and potential applications make it a compelling subject for further study. As research progresses, we can expect to see more innovative uses for this compound, contributing to the development of new treatments for various diseases.

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