Cas no 136350-52-2 (1-(4-Bromophenylsulfonyl)pyrrolidine)

1-(4-Bromophenylsulfonyl)pyrrolidine is a brominated sulfonamide derivative characterized by its pyrrolidine-substituted sulfonyl group attached to a 4-bromophenyl moiety. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its key advantages include high reactivity in nucleophilic substitution reactions, attributed to the electron-withdrawing sulfonyl group, and the versatility of the bromine substituent for further functionalization via cross-coupling reactions. The pyrrolidine ring enhances solubility in organic solvents, facilitating its use in diverse synthetic pathways. Its stability under standard conditions makes it a reliable building block for constructing complex molecular architectures.
1-(4-Bromophenylsulfonyl)pyrrolidine structure
136350-52-2 structure
Product Name:1-(4-Bromophenylsulfonyl)pyrrolidine
CAS No:136350-52-2
MF:C10H12BrNO2S
MW:290.176780700684
MDL:MFCD00584577
CID:235006
PubChem ID:738618
Update Time:2025-10-17

1-(4-Bromophenylsulfonyl)pyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 1-((4-Bromophenyl)sulfonyl)pyrrolidine
    • 1-(4-bromobenzenesulfonyl)pyrrolidine
    • 1-(4-Bromophenylsulfonyl)pyrrolidine
    • Pyrrolidine,1-[(4-bromophenyl)sulfonyl]-
    • 1-(4-bromophenyl)sulfonylpyrrolidine
    • HMS2828F22
    • CS-0155276
    • 136350-52-2
    • MFCD00584577
    • SR-01000460907-1
    • N10213
    • SCHEMBL2112295
    • SY072346
    • DTXSID50353371
    • AKOS000383603
    • AB06493
    • SMR000516780
    • JMOJWOSNSJXQMT-UHFFFAOYSA-N
    • SR-01000460907
    • AM86561
    • Oprea1_078148
    • 1-[(4-bromophenyl)sulfonyl]pyrrolidine
    • CHEMBL1481314
    • (4-bromobenzenesulfonyl)pyrrolidine
    • 1-(4-Bromobenzene-1-sulfonyl)pyrrolidine
    • 4-Bromo-N-pyrrolidin-1-ylbenzenesulphonamide
    • Oprea1_390321
    • Pyrrolidine, 1-[(4-bromophenyl)sulfonyl]-
    • PS-5478
    • 1-[(4-Bromophenyl)sulfonyl]-pyrrolidine
    • 1-(4-Bromo-benzenesulfonyl)-pyrrolidine
    • MLS001211907
    • STL259083
    • MDL: MFCD00584577
    • Inchi: 1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
    • InChI Key: JMOJWOSNSJXQMT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)S(N1CCCC1)(=O)=O

Computed Properties

  • Exact Mass: 288.97700
  • Monoisotopic Mass: 288.977212
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 45.8
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.583
  • Melting Point: 80-84°C
  • Boiling Point: 383.1°Cat760mmHg
  • Flash Point: 185.5°C
  • Refractive Index: 1.611
  • PSA: 45.76000
  • LogP: 3.25230

1-(4-Bromophenylsulfonyl)pyrrolidine Security Information

  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

1-(4-Bromophenylsulfonyl)pyrrolidine Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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Additional information on 1-(4-Bromophenylsulfonyl)pyrrolidine

1-(4-Bromophenylsulfonyl)pyrrolidine: A Comprehensive Overview

1-(4-Bromophenylsulfonyl)pyrrolidine (CAS No. 136350-52-2) is a sophisticated organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmacology. This compound, characterized by its unique structure featuring a pyrrolidine ring substituted with a sulfonyl group attached to a bromophenyl moiety, has demonstrated potential in various therapeutic applications. Recent studies have highlighted its role in modulating cellular signaling pathways, making it a promising candidate for drug development.

The synthesis of 1-(4-Bromophenylsulfonyl)pyrrolidine involves a multi-step process that combines principles of organic chemistry, including nucleophilic aromatic substitution and sulfonation reactions. Researchers have optimized these methods to achieve higher yields and better purity, ensuring the compound's reliability for downstream applications. The use of advanced spectroscopic techniques, such as NMR and mass spectrometry, has further facilitated the characterization of this compound, confirming its structural integrity and stability under various conditions.

One of the most intriguing aspects of 1-(4-Bromophenylsulfonyl)pyrrolidine is its pharmacokinetic profile. Studies conducted in preclinical models have revealed favorable absorption and bioavailability, suggesting that it could be effectively administered orally. Additionally, the compound exhibits selective binding to specific receptors, which is critical for minimizing off-target effects and enhancing therapeutic efficacy. These findings underscore its potential as a lead compound in the development of novel therapeutics targeting diseases such as cancer and inflammatory disorders.

Recent advancements in computational chemistry have enabled researchers to perform detailed molecular docking studies on 1-(4-Bromophenylsulfonyl)pyrrolidine. These studies have provided insights into its interaction with key proteins involved in cellular signaling, such as kinases and G-protein coupled receptors (GPCRs). The results indicate that the compound's sulfonyl group plays a pivotal role in stabilizing these interactions, thereby enhancing its potency and selectivity.

In terms of applications, 1-(4-Bromophenylsulfonyl)pyrrolidine has shown promise in the development of anti-inflammatory agents. Preclinical trials have demonstrated its ability to inhibit pro-inflammatory cytokines, such as TNF-alpha and IL-6, which are key mediators of inflammatory responses. Furthermore, the compound has exhibited anti-proliferative effects on various cancer cell lines, suggesting its potential role in oncology.

The environmental impact of 1-(4-Bromophenylsulfonyl)pyrrolidine is another area of growing interest. Researchers have investigated its biodegradability and toxicity profiles under controlled conditions. Initial findings indicate that the compound undergoes rapid metabolic degradation in aqueous environments, reducing its ecological footprint. However, further studies are required to fully assess its long-term environmental implications.

In conclusion, 1-(4-Bromophenylsulfonyl)pyrrolidine (CAS No. 136350-52-2) represents a cutting-edge molecule with diverse applications in drug discovery and development. Its unique chemical structure, coupled with favorable pharmacokinetic properties and potent biological activity, positions it as a valuable tool for addressing unmet medical needs. As research continues to uncover new insights into its mechanisms of action and therapeutic potential, this compound is poised to make significant contributions to the field of medicinal chemistry.

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