Cas no 910443-30-0 (1-sec-butyl-5-oxopyrrolidine-3-carboxamide)

1-sec-Butyl-5-oxopyrrolidine-3-carboxamide is a pyrrolidinone derivative with potential applications in pharmaceutical and chemical research. Its structure features a sec-butyl substituent and a carboxamide functional group, which may enhance solubility and bioavailability. The 5-oxopyrrolidine core is a common motif in bioactive compounds, suggesting utility in drug discovery, particularly for central nervous system (CNS) or metabolic targets. The compound's stereochemistry and functional groups offer versatility for further derivatization or as an intermediate in synthetic pathways. Its stability under standard conditions makes it suitable for laboratory use. Further studies are required to fully elucidate its pharmacological properties and potential industrial applications.
1-sec-butyl-5-oxopyrrolidine-3-carboxamide structure
910443-30-0 structure
Product Name:1-sec-butyl-5-oxopyrrolidine-3-carboxamide
CAS No:910443-30-0
MF:C9H16N2O2
MW:184.235542297363
CID:5043362
Update Time:2025-10-29

1-sec-butyl-5-oxopyrrolidine-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 1-(butan-2-yl)-5-oxopyrrolidine-3-carboxamide
    • 1-Sec-butyl-5-oxopyrrolidine-3-carboxamide
    • BBL021669
    • KM4615
    • STK894385
    • 1-(sec-Butyl)-5-oxopyrrolidine-3-carboxamide
    • 1-butan-2-yl-5-oxopyrrolidine-3-carboxamide
    • 1-sec-butyl-5-oxopyrrolidine-3-carboxamide
    • Inchi: 1S/C9H16N2O2/c1-3-6(2)11-5-7(9(10)13)4-8(11)12/h6-7H,3-5H2,1-2H3,(H2,10,13)
    • InChI Key: LEKCWODOYZKEOP-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(N)=O)CN1C(C)CC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 228
  • XLogP3: -0.4
  • Topological Polar Surface Area: 63.4

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 404.7±34.0 °C at 760 mmHg
  • Flash Point: 198.6±25.7 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-sec-butyl-5-oxopyrrolidine-3-carboxamide Security Information

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1-sec-butyl-5-oxopyrrolidine-3-carboxamide Related Literature

Additional information on 1-sec-butyl-5-oxopyrrolidine-3-carboxamide

Comprehensive Overview of 1-sec-butyl-5-oxopyrrolidine-3-carboxamide (CAS No. 910443-30-0): Properties, Applications, and Market Insights

The compound 1-sec-butyl-5-oxopyrrolidine-3-carboxamide (CAS No. 910443-30-0) is a specialized organic molecule featuring a pyrrolidone backbone with a sec-butyl group and a carboxamide functional group. This unique structure makes it a valuable intermediate in pharmaceutical and agrochemical research. The growing interest in pyrrolidone derivatives for drug development has positioned this compound as a subject of scientific and industrial attention.

Chemically, 1-sec-butyl-5-oxopyrrolidine-3-carboxamide demonstrates notable stability under standard conditions, with a molecular weight of 184.24 g/mol. Its carboxamide moiety contributes to hydrogen bonding potential, enhancing solubility in polar solvents—a critical factor for bioavailability in pharmaceutical applications. Researchers frequently investigate its structure-activity relationships when developing new therapeutic agents, particularly for neurological and inflammatory conditions.

In pharmaceutical applications, this compound serves as a key building block for small molecule drugs targeting protein-protein interactions. The 5-oxopyrrolidine core mimics natural amino acid structures, making it valuable for designing enzyme inhibitors. Recent studies explore its potential in developing neuroprotective agents, aligning with current healthcare trends focusing on neurodegenerative diseases like Alzheimer's and Parkinson's.

The agrochemical industry utilizes 1-sec-butyl-5-oxopyrrolidine-3-carboxamide in developing novel crop protection agents. Its structural features enable the creation of compounds with improved systemic movement in plants and reduced environmental persistence. This addresses the growing demand for sustainable agriculture solutions that maintain efficacy while minimizing ecological impact—a major focus in modern farming practices.

Market analysis reveals increasing demand for specialty chemical intermediates like 910443-30-0, driven by expanding pharmaceutical R&D budgets and the need for innovative agrochemicals. The compound's versatility supports its use across multiple therapeutic areas, including central nervous system disorders and metabolic diseases, both representing significant unmet medical needs in aging populations worldwide.

Manufacturing processes for 1-sec-butyl-5-oxopyrrolidine-3-carboxamide typically involve multi-step organic synthesis with careful control of stereochemistry at the sec-butyl position. Recent process optimization efforts focus on green chemistry principles, reducing solvent waste and improving atom economy—responding to industry pressures for more sustainable production methods.

Quality control standards for CAS No. 910443-30-0 emphasize purity levels exceeding 98%, with rigorous testing for residual solvents and heavy metals. Analytical methods commonly employ HPLC and GC-MS techniques, ensuring compliance with pharmaceutical-grade specifications. These stringent requirements reflect the compound's importance in preclinical drug development pipelines.

Storage recommendations for 1-sec-butyl-5-oxopyrrolidine-3-carboxamide include protection from moisture at controlled room temperature, maintaining stability for extended periods. Proper handling procedures prevent degradation of the carboxamide functionality, preserving the compound's reactivity for subsequent synthetic transformations.

Emerging research explores novel derivatives of 910443-30-0 with modified alkyl substituents or additional functional groups. These structural variations aim to optimize pharmacokinetic properties while maintaining the core pyrrolidinone scaffold's beneficial characteristics—a strategy gaining traction in fragment-based drug design approaches.

Intellectual property landscapes show growing patent activity surrounding pyrrolidone-3-carboxamide derivatives, particularly in therapeutic areas addressing chronic inflammation and oxidative stress-related conditions. This reflects broader industry trends toward targeting fundamental disease mechanisms with small molecule interventions.

Environmental fate studies indicate that 1-sec-butyl-5-oxopyrrolidine-3-carboxamide undergoes moderate biodegradation under standard conditions, with low bioaccumulation potential. These characteristics support its use in developing environmentally benign agrochemicals, aligning with regulatory pressures for safer chemical alternatives.

From a regulatory perspective, proper documentation of CAS 910443-30-0 includes safety data sheets detailing appropriate handling procedures. While not classified as hazardous under current systems, standard laboratory precautions apply when working with this fine chemical intermediate in research or production settings.

The global market for specialty pyrrolidone derivatives continues to expand, with 1-sec-butyl-5-oxopyrrolidine-3-carboxamide representing a niche but growing segment. Industry forecasts predict steady demand growth as research into its therapeutic and agricultural applications progresses, particularly in developing next-generation small molecule therapeutics.

Recent scientific literature highlights innovative applications of 910443-30-0 in medicinal chemistry, including its use as a scaffold for developing allosteric modulators of biological targets. This approach capitalizes on the compound's ability to access less-conserved binding sites—a strategy gaining prominence in drug discovery programs targeting challenging disease mechanisms.

Supply chain considerations for 1-sec-butyl-5-oxopyrrolidine-3-carboxamide emphasize reliable sourcing of high-purity starting materials and maintenance of strict quality control throughout synthesis. These factors become increasingly important as the compound transitions from research-scale to potential commercial applications in pharmaceutical development.

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