Cas no 54129-53-2 (2-Hydroxy-4-methylpentanenitrile)

2-Hydroxy-4-methylpentanenitrile is a versatile nitrile compound characterized by its hydroxyl and methyl functional groups, which enhance its reactivity in organic synthesis. This intermediate is particularly valuable in the production of fine chemicals and pharmaceuticals due to its ability to participate in nucleophilic addition and condensation reactions. Its structural features, including the branched alkyl chain, contribute to improved solubility in organic solvents, facilitating its use in diverse reaction conditions. The compound's stability under typical processing conditions makes it a reliable choice for multi-step synthetic routes. Additionally, its nitrile group offers potential for further functionalization, expanding its utility in the development of complex molecular architectures.
2-Hydroxy-4-methylpentanenitrile structure
54129-53-2 structure
Product Name:2-Hydroxy-4-methylpentanenitrile
CAS No:54129-53-2
MF:C6H11NO
MW:113.157641649246
MDL:MFCD12169316
CID:355378
PubChem ID:12548640
Update Time:2025-08-05

2-Hydroxy-4-methylpentanenitrile Chemical and Physical Properties

Names and Identifiers

    • Pentanenitrile, 2-hydroxy-4-methyl-
    • 2-Hydroxy-4-methylvaleronitrile
    • 2-Hydroxy-4-methylpentanenitrile
    • HAQDYBJHNGGTLI-UHFFFAOYSA-N
    • AKOS009470960
    • leuconitrile
    • SCHEMBL15634
    • MFCD12169316
    • LS-09702
    • CS-0359248
    • 54129-53-2
    • F83778
    • DB-293138
    • ALBB-027951
    • MDL: MFCD12169316
    • Inchi: 1S/C6H11NO/c1-5(2)3-6(8)4-7/h5-6,8H,3H2,1-2H3
    • InChI Key: HAQDYBJHNGGTLI-UHFFFAOYSA-N
    • SMILES: OC(C#N)CC(C)C

Computed Properties

  • Exact Mass: 113.08413
  • Monoisotopic Mass: 113.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 100
  • 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: 1.1
  • Topological Polar Surface Area: 44?2

Experimental Properties

  • PSA: 44.02

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2-Hydroxy-4-methylpentanenitrile Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:54129-53-2)2-Hydroxy-4-methylpentanenitrile
Order Number:A1164377
Stock Status:in Stock
Quantity:1.0g/5.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 00:21
Price ($):379.0/364.0

Additional information on 2-Hydroxy-4-methylpentanenitrile

Recent Advances in the Study of 2-Hydroxy-4-methylpentanenitrile (CAS: 54129-53-2) and Its Applications in Chemical Biology and Pharmaceutical Research

The compound 2-Hydroxy-4-methylpentanenitrile (CAS: 54129-53-2) has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This nitrile derivative, characterized by its hydroxyl and methyl functional groups, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential in drug discovery, metabolic pathway modulation, and as a building block for complex organic frameworks. This research brief aims to synthesize the latest findings and highlight the compound's emerging roles in the field.

One of the most notable advancements involves the use of 2-Hydroxy-4-methylpentanenitrile in the development of enzyme inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a precursor in the synthesis of selective serine hydrolase inhibitors, which show promise in treating neurodegenerative diseases. The study utilized a combination of computational docking and kinetic assays to validate the compound's binding affinity and inhibitory potential, paving the way for further optimization of related drug candidates.

In addition to its pharmacological applications, recent research has also focused on the compound's role in asymmetric synthesis. A team from the University of Tokyo reported a novel catalytic system that leverages 2-Hydroxy-4-methylpentanenitrile to achieve high enantioselectivity in the production of chiral alcohols, a critical step in the manufacture of many pharmaceuticals. The study, published in ACS Catalysis, highlighted the compound's stability under mild reaction conditions and its compatibility with a range of transition metal catalysts.

Another area of interest is the compound's metabolic fate in biological systems. A 2024 paper in Chemical Research in Toxicology investigated the biotransformation pathways of 2-Hydroxy-4-methylpentanenitrile in mammalian liver microsomes. The findings revealed that the compound undergoes rapid oxidation to form corresponding aldehydes and carboxylic acids, which may have implications for its pharmacokinetic profile and toxicity. These insights are crucial for assessing the safety and efficacy of derivatives in preclinical development.

Looking ahead, researchers are exploring the potential of 2-Hydroxy-4-methylpentanenitrile in targeted drug delivery systems. Preliminary data from a collaborative study between MIT and Pfizer suggest that the compound's hydroxyl group can be functionalized to attach payloads such as anticancer agents, enabling site-specific release. This approach, detailed in a recent Nature Communications article, could minimize off-target effects and improve therapeutic outcomes in oncology applications.

In conclusion, the growing body of research on 2-Hydroxy-4-methylpentanenitrile (CAS: 54129-53-2) underscores its multifaceted utility in chemical biology and drug development. From enzyme inhibition to asymmetric synthesis and metabolic studies, the compound continues to reveal new opportunities for innovation. As methodologies advance and interdisciplinary collaborations flourish, we anticipate even more groundbreaking discoveries involving this versatile molecule in the coming years.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:54129-53-2)2-Hydroxy-4-methylpentanenitrile
A1164377
Purity:99%/99%
Quantity:1.0g/5.0g
Price ($):379.0/364.0
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