Cas no 22988-51-8 (Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate)

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate is a specialized organic compound featuring a thienyl ketone ester structure, making it a valuable intermediate in synthetic chemistry. Its key advantages include its reactivity as a building block for heterocyclic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The presence of both a ketone and ester functional group allows for versatile derivatization, enabling selective modifications for tailored applications. The compound's stability under standard conditions and compatibility with common organic solvents further enhance its utility in multistep synthetic routes. Its well-defined structure ensures reproducibility in research and industrial processes, supporting consistent results in complex molecular constructions.
Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate structure
22988-51-8 structure
Product Name:Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate
CAS No:22988-51-8
MF:C10H12O3S
MW:212.265481948853
MDL:MFCD11617579
CID:2936025
Update Time:2025-10-28

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate
    • Methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
    • MDL： MFCD11617579
    • Inchi： 1S/C10H12O3S/c1-7-3-5-9(14-7)8(11)4-6-10(12)13-2/h3,5H,4,6H2,1-2H3
    • InChI Key： MCJOECNOUKIFNV-UHFFFAOYSA-N
    • SMILES： S1C(C)=CC=C1C(CCC(=O)OC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 227
  • XLogP3: 1.8
  • Topological Polar Surface Area: 71.6

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Ambeed
A283898-1g
Methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
 22988-51-8 97%
1g
 $441.0 2024-04-21
abcr
AB433514-1 g
Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate
 22988-51-8
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abcr
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Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate; .
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 €1555.10 2025-04-19

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate Related Literature

Additional information on Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate: A Comprehensive Overview

Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate, also known by its CAS number 22988-51-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a methyl ester group attached to a 4-(5-methylthienyl)butyryl moiety. The presence of the thienyl ring introduces interesting electronic and steric properties, making it a valuable molecule for various applications.

The structure of Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate consists of a butyric acid derivative with a thienyl substituent. The thienyl group, a five-membered aromatic ring containing two sulfur atoms, contributes to the compound's stability and reactivity. The methyl ester group enhances solubility and bioavailability, making it suitable for use in pharmaceutical formulations. Recent studies have highlighted the potential of this compound as a precursor in the synthesis of bioactive molecules, particularly in the development of anti-inflammatory and anticancer agents.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of CAS No. 22988-51-8. One notable method involves the coupling of a thioester intermediate with a methyl ester group under mild conditions. This approach not only simplifies the synthesis process but also ensures high purity and yield. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times, further enhancing the scalability of this process.

In terms of applications, Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate has shown promise in the pharmaceutical industry. Its ability to act as a bioisostere for other drug candidates makes it an attractive option for medicinal chemists. For instance, studies have demonstrated that this compound can modulate key enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent. Additionally, its role as a building block in drug discovery has been underscored by its ability to undergo various transformations, such as nucleophilic substitutions and reductions.

The pharmacokinetic properties of CAS No. 22988-51-8 have also been extensively studied. Research indicates that this compound exhibits moderate absorption and distribution profiles, making it suitable for oral administration. Its metabolic pathways involve hydrolysis of the ester group, leading to the formation of the corresponding carboxylic acid derivative. This metabolite has been shown to possess similar bioactivity to the parent compound, further supporting its therapeutic potential.

From an environmental perspective, the degradation pathways of Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate have been investigated under various conditions. Studies reveal that this compound undergoes rapid hydrolysis in aqueous environments, particularly under alkaline conditions. This property is advantageous from an ecological standpoint, as it minimizes the risk of long-term accumulation in natural systems.

In conclusion, Methyl 4-(5-methyl-2-thienyl)-4-oxobutyrate (CAS No. 22988-51-8) is a versatile compound with diverse applications in organic synthesis and drug discovery. Its unique structure and favorable pharmacokinetic properties make it an invaluable tool for researchers in academia and industry alike. As ongoing studies continue to uncover new insights into its biological activity and synthetic potential, this compound is poised to play an increasingly important role in the development of novel therapeutic agents.

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