Cas no 1872585-01-7 (Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester)

Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, is a specialized carbamate ester with potential applications in organic synthesis and pharmaceutical intermediates. Its structure features a cyclobutyl ketone moiety and a tert-butyl ester group, offering versatility in further functionalization. The compound's sterically hindered tert-butyl group enhances stability, while the cyclobutyl ketone provides a reactive handle for selective modifications. This makes it valuable for constructing complex molecular frameworks, particularly in medicinal chemistry. Its well-defined reactivity profile and compatibility with standard synthetic conditions contribute to its utility in research and development settings. Proper handling under inert conditions is recommended due to potential sensitivity to hydrolysis or thermal decomposition.
Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester structure
1872585-01-7 structure
Product Name:Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester
CAS No:1872585-01-7
MF:C13H23NO3
MW:241.326624155045
CID:5291751
Update Time:2025-06-07

Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester
    • Inchi: 1S/C13H23NO3/c1-9(8-11(15)10-6-5-7-10)14-12(16)17-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)
    • InChI Key: AWORKFPVSDMQBI-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)NC(C)CC(C1CCC1)=O

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Additional information on Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester

Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (CAS No. 1872585-01-7): A Comprehensive Overview

Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, identified by the CAS number 1872585-01-7, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the class of carbamates, which are widely recognized for their versatile applications in medicinal chemistry, agrochemicals, and material science. The unique structural features of this molecule, particularly its bulky cyclobutyl and dimethyl ester substituents, contribute to its distinct chemical properties and potential biological activities.

The synthesis of Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester involves a series of well-established organic reactions, including condensation and esterification processes. The presence of the cyclobutyl group enhances the steric hindrance around the reactive sites, which can be exploited to modulate the reactivity and selectivity in subsequent chemical transformations. Additionally, the dimethyl ester moiety provides stability to the molecule while allowing for further functionalization through hydrolysis or transesterification reactions.

In recent years, there has been a growing interest in carbamate-based compounds due to their potential as pharmacophores in drug discovery. The structural motif of carbamates is frequently incorporated into active pharmaceutical ingredients (APIs) due to their ability to form hydrogen bonds and interact with biological targets. For instance, carbamates have been shown to exhibit inhibitory activity against various enzymes and receptors, making them valuable candidates for therapeutic intervention.

One of the most compelling aspects of Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester is its potential application in the development of novel therapeutic agents. The cyclobutyl substituent introduces rigidity to the molecular framework, which can improve binding affinity and metabolic stability. Furthermore, the dimethyl ester group can be easily modified to explore different pharmacological profiles. These features make this compound a promising scaffold for further derivatization and optimization.

The compound's unique structural characteristics also make it an interesting candidate for studying enzyme mechanisms and interactions. Researchers have utilized derivatives of carbamates to investigate the binding modes of enzymes such as carbonic anhydrase and proteases. The steric bulk provided by the cyclobutyl group can influence how these molecules interact with their targets, offering insights into structure-activity relationships (SAR). Such studies are crucial for designing more effective drugs with improved efficacy and reduced side effects.

Recent advancements in computational chemistry have further enhanced the understanding of Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester. Molecular modeling techniques have been employed to predict binding affinities and identify potential binding pockets on biological targets. These computational studies have complemented experimental efforts by providing rapid screening of virtual libraries and guiding synthetic strategies. By integrating experimental data with computational predictions, researchers can accelerate the discovery process and develop more targeted therapeutics.

The pharmaceutical industry has also recognized the potential of carbamate-based compounds in addressing unmet medical needs. Several clinical trials have explored the use of carbamates as inhibitors or modulators in various therapeutic areas. While specific details regarding ongoing trials involving this particular compound are limited at this time, its structural features suggest that it could be a valuable tool in developing treatments for conditions such as inflammation, pain management, and neurodegenerative diseases.

Beyond pharmaceutical applications, Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester has shown promise in other areas of research. For example, its ability to undergo selective modifications makes it a useful intermediate in synthetic chemistry. Researchers have leveraged its reactivity to construct more complex molecules with tailored properties. This versatility underscores its importance as a building block in organic synthesis.

The environmental impact of carbamate-based compounds is another area of consideration. While these compounds are generally biodegradable under certain conditions, their persistence in aquatic environments can pose challenges if not managed properly. Efforts are ongoing to develop greener synthetic routes that minimize environmental impact while maintaining high yields and purity standards. Such initiatives align with broader sustainability goals within the chemical industry.

In conclusion, Carbamic acid, N-(3-cyclobutyl-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (CAS No. 1872585-01- 7) represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique structural features offer opportunities for innovation in drug discovery, enzyme research, and synthetic chemistry. As our understanding of its properties and potential continues to evolve, this compound is likely to play an increasingly important role in advancing scientific knowledge and developing new technologies.

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