Cas no 608140-09-6 (Pyrrolidinium, 1-methyl-1-propyl-, bromide)

Pyrrolidinium, 1-methyl-1-propyl-, bromide is a quaternary ammonium salt with a pyrrolidinium core structure, featuring a methyl and propyl substituent on the nitrogen center. This compound is commonly utilized as an ionic liquid or phase-transfer catalyst due to its stable cationic nature and tunable physicochemical properties. Its bromide counterion enhances solubility in polar solvents, making it suitable for applications in organic synthesis, electrochemistry, and material science. The compound exhibits good thermal stability and low volatility, which are advantageous for high-temperature processes. Its structural flexibility allows for modifications to optimize performance in specific reaction conditions or electrolyte formulations.
Pyrrolidinium, 1-methyl-1-propyl-, bromide structure
608140-09-6 structure
Product Name:Pyrrolidinium, 1-methyl-1-propyl-, bromide
CAS No:608140-09-6
MF:C8H18BrN
MW:208.139221668243
MDL:MFCD17014747
CID:495397
PubChem ID:16719897
Update Time:2025-05-24

Pyrrolidinium, 1-methyl-1-propyl-, bromide Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidinium, 1-methyl-1-propyl-, bromide
    • 1-methyl-1-propylpyrrolidin-1-ium,bromide
    • N-PROPYL,METHYLPYRROLIDINIUM BROMIDE
    • 1-Methyl-1-propylpyrrolidinium bromide
    • AGN-PC-014S58
    • CTK2E8999
    • DSSTox_CID_29284
    • DSSTox_GSID_49328
    • DSSTox_RID_83403
    • SureCN2191358
    • Tox21_202707
    • 1-METHYL-1-PROPYLPYRROLIDIN-1-IUMBROMIDE
    • VLJAZZWDBWKZBL-UHFFFAOYSA-M
    • DTXSID9049328
    • MFCD17014747
    • (Propyl)(methyl)pyrrolidinium bromide
    • BS-46597
    • Propylmethylpyrrolidinium bromide
    • SCHEMBL2191358
    • N-methyl-N-propylpyrrolidiniumbromide
    • DTXCID8029284
    • 1-METHYL-1-PROPYLPYRROLIDIN-1-IUM BROMIDE
    • 608140-09-6
    • CAS-608140-09-6
    • DB-321227
    • N-methyl-N-propylpyrrolidinium bromide
    • 1-methyl-1-propylpyrrolidin-1-ium;bromide
    • Pyrrolidinium, 1-methyl-1-propyl-, bromide (1:1)
    • YE22993LG2
    • NCGC00260255-01
    • MDL: MFCD17014747
    • Inchi: 1S/C8H18N.BrH/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
    • InChI Key: VLJAZZWDBWKZBL-UHFFFAOYSA-M
    • SMILES: [Br-].[N+]1(C)(CCC)CCCC1

Computed Properties

  • Exact Mass: 188.9214
  • Monoisotopic Mass: 207.06226g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 82.6
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Melting Point: 107 oC
  • PSA: 0

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Additional information on Pyrrolidinium, 1-methyl-1-propyl-, bromide

Chemical Profile of Pyrrolidinium, 1-methyl-1-propyl-, bromide (CAS No. 608140-09-6)

Pyrrolidinium, 1-methyl-1-propyl-, bromide, identified by its CAS number 608140-09-6, is a specialized organic compound that has garnered attention in the field of chemical biology and pharmaceutical research. This compound belongs to the pyrrolidinium class of heterocyclic amines, characterized by a nitrogen-containing five-membered ring structure. The presence of both methyl and propyl substituents at the 1-position of the pyrrolidine ring contributes to its unique chemical properties, making it a subject of interest for various applications in medicinal chemistry and material science.

The molecular formula of Pyrrolidinium, 1-methyl-1-propyl-, bromide is C?H??BrN, reflecting its composition of seven carbon atoms, fourteen hydrogen atoms, one bromine atom, and one nitrogen atom. The bromide ion serves as a counterion, enhancing the compound's solubility in polar solvents and facilitating its use in synthetic protocols. This solubility profile is particularly advantageous for applications requiring precise dissolution in aqueous or organic media, such as in drug formulation and biochemical assays.

Recent advancements in the field of medicinal chemistry have highlighted the potential of pyrrolidinium derivatives as pharmacophores. The structural motif of Pyrrolidinium, 1-methyl-1-propyl-, bromide exhibits properties that make it a promising candidate for developing novel therapeutic agents. Specifically, the nitrogen atom in the pyrrolidine ring can interact with biological targets through hydrogen bonding or electrostatic interactions, while the alkyl substituents can modulate lipophilicity and metabolic stability. These features have prompted researchers to explore its utility in designing small-molecule inhibitors or modulators for various diseases.

In particular, studies have demonstrated that pyrrolidinium-based compounds can exhibit significant biological activity due to their ability to mimic natural bioactive scaffolds. For instance, derivatives of pyrrolidinium have been investigated for their potential role in modulating enzyme activity or receptor binding. The bromine substituent further enhances the compound's reactivity, allowing for facile functionalization through cross-coupling reactions or nucleophilic substitutions. Such chemical versatility makes Pyrrolidinium, 1-methyl-1-propyl-, bromide a valuable intermediate in synthetic chemistry.

One area where this compound has shown promise is in the development of antimicrobial agents. The unique structural features of pyrrolidinium derivatives can disrupt bacterial cell membranes or interfere with essential metabolic pathways. Preliminary studies have indicated that compounds structurally related to Pyrrolidinium, 1-methyl-1-propyl-, bromide exhibit inhibitory effects against certain resistant strains of bacteria. This finding aligns with the growing need for novel antibiotics to combat rising antibiotic resistance worldwide.

Furthermore, the compound's stability under various conditions makes it suitable for industrial applications. Its resistance to hydrolysis and oxidation allows it to be stored and handled without significant degradation, ensuring consistent performance in synthetic processes. This stability is particularly important in pharmaceutical manufacturing, where product consistency is critical for regulatory compliance and therapeutic efficacy.

The synthesis of Pyrrolidinium, 1-methyl-1-propyl-, bromide typically involves nucleophilic substitution reactions or cyclization protocols that incorporate the desired substituents onto the pyrrolidine core. Advanced synthetic techniques, such as transition-metal-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity levels. These methods are well-documented in modern organic synthesis literature and provide a robust framework for producing this compound on both laboratory and industrial scales.

From a material science perspective, pyrrolidinium-based compounds have been explored for their potential use in advanced materials. For example, they can serve as building blocks for polymers or liquid crystals with tailored properties. The ability to modify their electronic and steric characteristics through structural variations opens up possibilities for applications in optoelectronics or nanotechnology.

The safety profile of Pyrrolidinium, 1-methyl-1-propyl-, bromide is another critical consideration. While extensive toxicological data may not be available at this time due to its relatively recent emergence as a research chemical, preliminary assessments suggest that it behaves as expected based on its structural analogs. Proper handling procedures should be followed to minimize exposure risks during synthesis and application.

In conclusion,Pyrrolidinium, 1-methyl-1-propyl-, bromide (CAS No. 608140-09-6) represents a fascinating compound with diverse applications spanning medicinal chemistry, materials science, and biotechnology. Its unique structural features and chemical properties position it as a valuable tool for researchers seeking innovative solutions to complex scientific challenges. As further studies continue to uncover its potential benefits,Pyrrolidinium derivatives are likely to play an increasingly important role in advancing scientific discovery and technological innovation.

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