Cas no 87088-73-1 (1-(1-benzylpyrrolidin-3-yl)ethan-1-one)

1-(1-Benzylpyrrolidin-3-yl)ethan-1-one is a pyrrolidine-derived ketone compound characterized by its benzyl-substituted nitrogen and acetyl functional group at the 3-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The benzyl group enhances lipophilicity, potentially improving membrane permeability in bioactive derivatives. Its rigid pyrrolidine scaffold offers stereochemical control in asymmetric synthesis, while the ketone moiety allows for further functionalization via reduction, condensation, or nucleophilic addition. The compound's stability under standard conditions facilitates handling and storage. Its synthetic utility is underscored by its role in producing analogs with potential CNS activity, making it valuable for medicinal chemistry exploration.
1-(1-benzylpyrrolidin-3-yl)ethan-1-one structure
87088-73-1 structure
Product Name:1-(1-benzylpyrrolidin-3-yl)ethan-1-one
CAS No:87088-73-1
MF:C13H17NO
MW:203.280183553696
MDL:MFCD11845477
CID:1861871
PubChem ID:357952
Update Time:2025-06-13

1-(1-benzylpyrrolidin-3-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(1-benzylpyrrolidin-3-yl)ethanone
    • NSC617625
    • 3-Acetyl-1-benzyl-pyrrolidin
    • 1-(1-Benzyl-pyrrolidin-3-yl)-ethanon
    • 1-(1-Benzyl-3-pyrrolidinyl)ethanone
    • 3-acetyl-1-benzyl-pyrrolidine
    • SureCN5567542
    • AC1Q5GM7
    • AC1L7BKN
    • 1-(1-benzyl-pyrrolidin-3-yl)-ethanone
    • 3-acetyl-1-benzylpyrrolidine
    • AB64584
    • 1-[1-(phenylmethyl)-3-pyrrolidinyl]Ethanone
    • 1-(1-benzylpyrrolidin-3-yl)ethan-1-one
    • F13525
    • DTXSID50326828
    • 1-(1-Benzyl-3-pyrrolidinyl)-1-ethanone
    • CS-0232842
    • NS-02121
    • AKOS016353109
    • MFCD11845477
    • 87088-73-1
    • JKIQGQRVJAOUFQ-UHFFFAOYSA-N
    • DB-076836
    • SCHEMBL5567542
    • Z1509589244
    • EN300-129069
    • NSC-617625
    • MDL: MFCD11845477
    • Inchi: 1S/C13H17NO/c1-11(15)13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
    • InChI Key: JKIQGQRVJAOUFQ-UHFFFAOYSA-N
    • SMILES: O=C(C)C1CCN(CC2C=CC=CC=2)C1

Computed Properties

  • Exact Mass: 203.131014166g/mol
  • Monoisotopic Mass: 203.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.073±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 98-99 oC (0.15 Torr)
  • Flash Point: 103.2±14.8 oC,
  • Solubility: Slightly soluble (4.3 g/l) (25 o C),

1-(1-benzylpyrrolidin-3-yl)ethan-1-one Pricemore >>

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Additional information on 1-(1-benzylpyrrolidin-3-yl)ethan-1-one

Recent Advances in the Study of 1-(1-Benzylpyrrolidin-3-yl)ethan-1-one (CAS: 87088-73-1) in Chemical Biology and Pharmaceutical Research

The compound 1-(1-benzylpyrrolidin-3-yl)ethan-1-one (CAS: 87088-73-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and therapeutic potential. The compound's unique structural features, including the benzylpyrrolidine moiety and the ethanone group, make it a promising candidate for further investigation.

Recent studies have explored the synthetic pathways for 1-(1-benzylpyrrolidin-3-yl)ethan-1-one, highlighting its efficient production through multi-step organic reactions. Researchers have optimized the synthesis to improve yield and purity, which is critical for its application in high-throughput screening and medicinal chemistry. The compound's structural analogs have also been investigated, revealing insights into structure-activity relationships (SAR) that could guide future drug design efforts.

In terms of biological activity, preliminary in vitro and in vivo studies suggest that 1-(1-benzylpyrrolidin-3-yl)ethan-1-one exhibits notable interactions with central nervous system (CNS) targets. Specifically, it has shown affinity for neurotransmitter receptors, including dopamine and serotonin receptors, which are implicated in various neurological and psychiatric disorders. These findings open new avenues for the development of novel therapeutics for conditions such as depression, anxiety, and Parkinson's disease.

Further pharmacological evaluations have demonstrated the compound's potential as a lead molecule in the treatment of neurodegenerative diseases. Its ability to cross the blood-brain barrier (BBB) and modulate neurochemical pathways has been a focal point of recent research. Additionally, its low toxicity profile in preclinical models underscores its suitability for further development.

Despite these promising results, challenges remain in the clinical translation of 1-(1-benzylpyrrolidin-3-yl)ethan-1-one. Issues such as metabolic stability, pharmacokinetics, and potential off-target effects need to be addressed through rigorous preclinical and clinical studies. Collaborative efforts between academia and industry are essential to overcome these hurdles and advance the compound toward therapeutic application.

In conclusion, 1-(1-benzylpyrrolidin-3-yl)ethan-1-one (CAS: 87088-73-1) represents a compelling area of research in chemical biology and pharmaceutical sciences. Its unique properties and promising biological activities position it as a valuable candidate for future drug development. Continued research and innovation will be crucial to unlocking its full therapeutic potential and addressing the unmet medical needs in CNS disorders.

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