Cas no 68292-94-4 ((1-nitrosopyrrolidin-2-yl)methanol)

(1-Nitrosopyrrolidin-2-yl)methanol is a nitroso-functionalized pyrrolidine derivative with potential applications in organic synthesis and medicinal chemistry. The compound features a nitrosamine group attached to a pyrrolidine ring, along with a hydroxymethyl substituent, offering reactivity for further functionalization. Its structure makes it a candidate for studying nitrosamine-related biochemical pathways or as an intermediate in the synthesis of more complex heterocycles. The hydroxymethyl group enhances solubility and provides a handle for derivatization, while the nitroso moiety may participate in redox or coordination chemistry. Careful handling is advised due to the potential reactivity of the nitroso group. This compound is typically utilized in research settings under controlled conditions.
(1-nitrosopyrrolidin-2-yl)methanol structure
68292-94-4 structure
Product Name:(1-nitrosopyrrolidin-2-yl)methanol
CAS No:68292-94-4
MF:C5H10N2O2
MW:130.145101070404
MDL:MFCD18816747
CID:969878
PubChem ID:45092519
Update Time:2025-05-20

(1-nitrosopyrrolidin-2-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrrolidinemethanol,1-nitroso-(9CI)
    • N-Nitroso-2-pyrrolidinmethanol
    • (1-nitroso-pyrrolidin-2-yl)-methanol
    • (1-nitrosopyrrolidin-2-yl)methanol
    • MDL: MFCD18816747
    • Inchi: 1S/C5H10N2O2/c8-4-5-2-1-3-7(5)6-9/h5,8H,1-4H2
    • InChI Key: QZJDMCADRCEIQL-UHFFFAOYSA-N
    • SMILES: OCC1CCCN1N=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 107
  • Topological Polar Surface Area: 52.9

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Additional information on (1-nitrosopyrrolidin-2-yl)methanol

Chemical Profile of (1-nitrosopyrrolidin-2-yl)methanol (CAS No. 68292-94-4)

(1-nitrosopyrrolidin-2-yl)methanol, with the CAS number 68292-94-4, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This compound has garnered attention due to its unique structural properties and potential applications in the development of novel therapeutic agents. The nitroso-substituted pyrrolidine moiety presents a versatile scaffold for medicinal chemistry, enabling the design of molecules with enhanced biological activity and selectivity.

The< strong>nitroso group in (1-nitrosopyrrolidin-2-yl)methanol plays a crucial role in modulating the electronic and steric environment of the molecule. This functional group is known to influence both the reactivity and the pharmacokinetic profile of the compound, making it an attractive candidate for further exploration in drug discovery. Recent studies have highlighted the importance of nitroso compounds in medicinal chemistry, particularly in the context of their ability to interact with biological targets in a unique manner.

In recent years, there has been a growing interest in the development of small-molecule inhibitors targeting various disease pathways. (1-nitrosopyrrolidin-2-yl)methanol has been identified as a promising lead compound for such applications. Its pyrrolidine core is a common motif in biologically active molecules, and the introduction of a nitroso group introduces additional opportunities for molecular optimization. This compound has been investigated for its potential role in modulating enzyme activity, particularly in cases where redox-sensitive mechanisms are involved.

One of the most compelling aspects of (1-nitrosopyrrolidin-2-yl)methanol is its potential as a building block for more complex derivatives. The presence of both a hydroxymethyl group and a nitroso group provides multiple sites for functionalization, allowing chemists to tailor the molecule's properties to specific biological targets. This flexibility has made it a valuable intermediate in synthetic chemistry, enabling the rapid assembly of novel scaffolds with tailored pharmacological profiles.

The synthesis of (1-nitrosopyrrolidin-2-yl)methanol involves multi-step organic transformations that highlight its synthetic accessibility. The process typically begins with the preparation of a pyrrolidine derivative, followed by nitrosation and subsequent functional group manipulation. These synthetic routes have been optimized to ensure high yields and purity, making the compound readily available for further investigation.

Recent advances in computational chemistry have also contributed to our understanding of (1-nitrosopyrrolidin-2-yl)methanol's behavior. Molecular modeling studies have provided insights into its interactions with biological targets, helping to rationalize its potential pharmacological effects. These computational approaches are increasingly being used to guide experimental design, accelerating the discovery process.

The pharmacological evaluation of (1-nitrosopyrrolidin-2-yl)methanol has revealed several interesting properties. In vitro studies have shown that this compound exhibits moderate activity against certain enzymatic targets, suggesting its potential as an inhibitor or modulator. Additionally, preliminary toxicology studies have indicated that it is well-tolerated at low doses, although further research is needed to fully assess its safety profile.

The future prospects for (1-nitrosopyrrolidin-2-yl)methanol are promising, with ongoing research focused on expanding its therapeutic applications. Efforts are underway to develop more potent derivatives through structure-based drug design and combinatorial chemistry approaches. These efforts aim to harness the unique properties of this compound to address unmet medical needs.

In conclusion, (1-nitrosopyrrolidin-2-yl)methanol (CAS No. 68292-94-4) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and potential biological activities make it a valuable asset in drug discovery efforts. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in the development of next-generation therapeutics.

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