Cas no 1251345-08-0 (3-Methylpyrrolidine-1-sulfonyl chloride)

3-Methylpyrrolidine-1-sulfonyl chloride is a versatile sulfonylation reagent used in organic synthesis, particularly for introducing the 3-methylpyrrolidine-1-sulfonyl moiety into target molecules. Its reactive sulfonyl chloride group enables efficient coupling with nucleophiles such as amines and alcohols, facilitating the preparation of sulfonamides and sulfonate esters. The 3-methylpyrrolidine scaffold offers steric and electronic modulation, making it valuable in medicinal chemistry and drug development. This compound is characterized by its stability under controlled conditions and high reactivity, ensuring reliable performance in diverse synthetic applications. Proper handling under inert atmospheres is recommended due to its moisture sensitivity. Suitable for use in peptide modification and intermediate synthesis.
3-Methylpyrrolidine-1-sulfonyl chloride structure
1251345-08-0 structure
Product Name:3-Methylpyrrolidine-1-sulfonyl chloride
CAS No:1251345-08-0
MF:C5H10ClNO2S
MW:183.656399250031
CID:4581950
PubChem ID:61225769
Update Time:2025-06-11

3-Methylpyrrolidine-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3-methylpyrrolidine-1-sulfonyl chloride
    • 3-Methylpyrrolidine-1-sulfonyl chloride
    • Inchi: 1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3
    • InChI Key: VHBMUTBWJORQJF-UHFFFAOYSA-N
    • SMILES: ClS(N1CCC(C)C1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 208
  • XLogP3: 1.2
  • Topological Polar Surface Area: 45.8

3-Methylpyrrolidine-1-sulfonyl chloride Pricemore >>

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Additional information on 3-Methylpyrrolidine-1-sulfonyl chloride

Professional Introduction to 3-Methylpyrrolidine-1-sulfonyl Chloride (CAS No. 1251345-08-0)

3-Methylpyrrolidine-1-sulfonyl Chloride, identified by the Chemical Abstracts Service Number (CAS No.) 1251345-08-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its sulfonyl chloride functional group attached to a 3-methylpyrrolidine backbone, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules.

The 3-methylpyrrolidine moiety is a cyclic amine derivative with a methyl substituent at the 3-position, which contributes to its structural versatility and reactivity. This structural feature allows for facile modifications and functionalizations, making it a preferred scaffold in medicinal chemistry. The presence of the sulfonyl chloride group further enhances its utility, as sulfonyl chlorides are well-known for their ability to participate in nucleophilic substitution reactions, enabling the formation of sulfonamides, sulfonates, and other derivatives.

In recent years, there has been a surge in research focused on developing novel therapeutic agents derived from heterocyclic compounds. Among these, 3-methylpyrrolidine-1-sulfonyl Chloride has emerged as a key intermediate in the synthesis of potential drug candidates. Its application spans across multiple therapeutic areas, including anti-inflammatory, antiviral, and anticancer agents. The compound’s ability to serve as a precursor for biologically active molecules has positioned it as a cornerstone in synthetic organic chemistry.

One of the most compelling aspects of 3-methylpyrrolidine-1-sulfonyl Chloride is its role in the development of sulfonamide-based drugs. Sulfonamides are a class of compounds with broad pharmacological activity, and modifications to their core structure can lead to enhanced efficacy and reduced side effects. The sulfonyl chloride functionality in this compound allows for straightforward introduction of sulfonamide linkages, facilitating the synthesis of complex drug molecules. For instance, recent studies have demonstrated its utility in generating novel sulfonamides with potent inhibitory effects on enzymes involved in bacterial resistance mechanisms.

Moreover, the 3-methylpyrrolidine scaffold itself has been extensively studied for its potential in drug design. This heterocyclic system provides a rigid yet flexible framework that can interact favorably with biological targets. Researchers have leveraged this property to design molecules that exhibit high binding affinity and selectivity. In particular, derivatives of 3-methylpyrrolidine-1-sulfonyl Chloride have shown promise in targeting enzymes such as kinases and proteases, which are often implicated in various diseases.

The synthesis of 3-methylpyrrolidine-1-sulfonyl Chloride typically involves multi-step organic transformations starting from readily available precursors. The process often begins with the functionalization of pyrrolidine derivatives followed by sulfonylation and chlorination steps. Advanced synthetic methodologies, including catalytic processes and flow chemistry techniques, have been employed to improve yield and purity. These advancements not only enhance the accessibility of the compound but also contribute to more sustainable and efficient synthetic routes.

In the realm of medicinal chemistry, the versatility of 3-methylpyrrolidine-1-sulfonyl Chloride extends beyond its role as an intermediate. It serves as a building block for constructing complex molecular architectures that mimic natural products or designed scaffolds. Such molecular design strategies are crucial for optimizing drug-like properties such as solubility, bioavailability, and metabolic stability. The compound’s ability to undergo diverse chemical transformations makes it an indispensable tool in modern drug discovery pipelines.

Recent breakthroughs in computational chemistry have further accelerated the utilization of 3-methylpyrrolidine-1-sulfonyl Chloride in drug development. Molecular modeling studies have helped elucidate its interactions with biological targets at an atomic level, providing insights into structure-activity relationships. These computational approaches complement experimental efforts by predicting potential lead compounds and guiding synthetic optimizations. As a result, researchers can more efficiently navigate the complex landscape of drug design using 3-methylpyrrolidine-1-sulfonyl Chloride as a starting point.

The pharmaceutical industry has also recognized the significance of 3-methylpyrrolidine-1-sulfonyl Chloride due to its potential commercial applications. Several companies have incorporated this compound into their research portfolios as part of their efforts to develop next-generation therapeutics. Its broad applicability across different therapeutic areas makes it an attractive candidate for collaboration with academic institutions and biotech firms engaged in drug discovery.

Looking ahead, the future prospects for 3-methylpyrrolidine-1-sulfonyl Chloride appear promising as new methodologies and applications continue to emerge. Innovations in synthetic chemistry and biotechnology are likely to expand its utility further, opening up new avenues for therapeutic development. As research progresses, it is anticipated that this compound will play an increasingly pivotal role in addressing unmet medical needs.

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