Cas no 952797-26-1 (O-(azetidin-3-yl)hydroxylamine)

O-(azetidin-3-yl)hydroxylamine structure
952797-26-1 structure
Product Name:O-(azetidin-3-yl)hydroxylamine
CAS No:952797-26-1
MF:C3H8N2O
MW:88.1084203720093
MDL:MFCD32737104
CID:5654491
PubChem ID:53484463
Update Time:2025-11-01

O-(azetidin-3-yl)hydroxylamine Chemical and Physical Properties

Names and Identifiers

    • O-(azetidin-3-yl)hydroxylamine
    • 952797-26-1
    • EN300-28270339
    • MDL: MFCD32737104
    • Inchi: 1S/C3H8N2O/c4-6-3-1-5-2-3/h3,5H,1-2,4H2
    • InChI Key: NHLAYSRKVBWAOT-UHFFFAOYSA-N
    • SMILES: O(C1CNC1)N

Computed Properties

  • Exact Mass: 88.063662883g/mol
  • Monoisotopic Mass: 88.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 44.1
  • 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
  • XLogP3: -1.3
  • Topological Polar Surface Area: 47.3?2

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O-(azetidin-3-yl)hydroxylamine Related Literature

Additional information on O-(azetidin-3-yl)hydroxylamine

Comprehensive Overview of O-(azetidin-3-yl)hydroxylamine (CAS No. 952797-26-1): Properties, Applications, and Research Insights

O-(azetidin-3-yl)hydroxylamine (CAS No. 952797-26-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features and versatile reactivity. This compound, characterized by its azetidine ring and hydroxylamine functional group, serves as a critical building block in the synthesis of bioactive molecules. Researchers and industry professionals frequently search for terms like "azetidine derivatives in drug discovery" or "hydroxylamine applications in organic synthesis," reflecting its relevance in modern chemistry.

The molecular structure of O-(azetidin-3-yl)hydroxylamine combines a strained four-membered azetidine ring with a hydroxylamine moiety, making it a valuable intermediate for constructing nitrogen-containing heterocycles. Its CAS No. 952797-26-1 is often referenced in patent literature and academic journals, particularly in studies exploring small-molecule inhibitors or proteolysis-targeting chimeras (PROTACs). Recent trends in AI-driven drug design and fragment-based drug discovery (FBDD) have further highlighted the importance of such scaffolds.

In pharmaceutical applications, O-(azetidin-3-yl)hydroxylamine is frequently employed to introduce polar functional groups or hydrogen-bond acceptors into lead compounds. Its reactivity enables selective modifications, aligning with the growing demand for precision medicine and targeted therapies. Searches for "azetidine pharmacokinetics" or "hydroxylamine stability in formulations" underscore its practical challenges and solutions in drug development.

From a synthetic chemistry perspective, this compound is pivotal for C–N bond-forming reactions and ring-opening transformations. Its utility in click chemistry and bioconjugation techniques has been explored in peer-reviewed studies, often linked to keywords like "bioorthogonal chemistry" and "ligand-directed labeling." The rise of green chemistry initiatives has also spurred interest in optimizing its synthesis to reduce waste and improve atom economy.

Recent advancements in cryo-EM and computational modeling have enabled deeper insights into the interactions of azetidine-containing compounds with biological targets. This aligns with frequent queries such as "azetidine ring conformation analysis" or "hydroxylamine redox properties." Additionally, the compound's role in metal-catalyzed reactions and photoredox catalysis has been investigated, reflecting broader trends in sustainable catalysis.

Quality control and analytical characterization of O-(azetidin-3-yl)hydroxylamine (CAS No. 952797-26-1) typically involve techniques like HPLC-MS, NMR spectroscopy, and X-ray crystallography. These methods address common concerns about purity thresholds and structural elucidation, which are frequently searched topics in analytical chemistry forums. The compound's stability under various pH conditions and its storage recommendations are also critical for industrial applications.

In conclusion, O-(azetidin-3-yl)hydroxylamine represents a multifaceted tool in both academic and industrial settings. Its integration into high-throughput screening platforms and combinatorial chemistry libraries demonstrates its enduring value. As research continues to explore new synthetic methodologies and biological applications, this compound will likely remain a focal point for innovation in medicinal and synthetic chemistry.

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