Cas no 159045-22-4 (2-(2-methylcyclopropyl)acetonitrile)

2-(2-Methylcyclopropyl)acetonitrile is a versatile organic compound featuring a cyclopropane ring substituted with a methyl group and an acetonitrile moiety. This structure imparts unique reactivity, making it valuable in synthetic chemistry, particularly in the construction of complex molecules and pharmaceutical intermediates. The cyclopropane ring contributes to steric and electronic effects, while the nitrile group offers functional flexibility for further derivatization, such as hydrolysis to carboxylic acids or reduction to primary amines. Its compact yet reactive framework is advantageous for applications in medicinal chemistry, agrochemicals, and materials science. The compound's stability and compatibility with various reaction conditions enhance its utility as a building block in multi-step syntheses.
2-(2-methylcyclopropyl)acetonitrile structure
159045-22-4 structure
Product Name:2-(2-methylcyclopropyl)acetonitrile
CAS No:159045-22-4
MF:C6H9N
MW:95.1423614025116
CID:1337581
PubChem ID:10261049
Update Time:2025-07-02

2-(2-methylcyclopropyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Cyclopropaneacetonitrile, 2-methyl-
    • 2-(2-methylcyclopropyl)acetonitrile
    • EN300-1865737
    • 159045-22-4
    • Inchi: 1S/C6H9N/c1-5-4-6(5)2-3-7/h5-6H,2,4H2,1H3
    • InChI Key: JUKZYMBBRKAZTE-UHFFFAOYSA-N
    • SMILES: N#CCC1CC1C

Computed Properties

  • Exact Mass: 95.07357
  • Monoisotopic Mass: 95.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79

2-(2-methylcyclopropyl)acetonitrile Pricemore >>

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Additional information on 2-(2-methylcyclopropyl)acetonitrile

Comprehensive Analysis of 2-(2-methylcyclopropyl)acetonitrile (CAS No. 159045-22-4): Properties, Applications, and Industry Insights

2-(2-methylcyclopropyl)acetonitrile (CAS No. 159045-22-4) is a specialized organic compound with a unique cyclopropyl structure, making it a valuable intermediate in pharmaceutical and fine chemical synthesis. Its molecular formula, C6H9N, and distinct nitrile functional group contribute to its reactivity, enabling diverse applications in modern chemistry. This article explores its properties, synthesis methods, and emerging trends, addressing key questions like "What is 2-(2-methylcyclopropyl)acetonitrile used for?" and "How is CAS 159045-22-4 synthesized?"—topics frequently searched in academic and industrial circles.

The compound’s methylcyclopropyl moiety enhances its steric and electronic properties, which are critical for designing bioactive molecules. Researchers often investigate "2-(2-methylcyclopropyl)acetonitrile solubility" and "stability under different conditions," as these factors influence its utility in multi-step reactions. Recent studies highlight its role in developing non-toxic agrochemicals and sustainable materials, aligning with global demands for greener alternatives. For instance, its derivatization into biodegradable polymers has gained attention in circular economy discussions.

From a synthetic perspective, 159045-22-4 is typically produced via nucleophilic substitution or catalytic cyanation of precursor halides. Optimizing yield and purity remains a focus, as reflected in searches like "high-purity 2-(2-methylcyclopropyl)acetonitrile suppliers." Analytical techniques such as GC-MS and NMR spectroscopy are essential for quality control, ensuring compliance with industry standards like REACH and GMP.

The compound’s versatility extends to flavor and fragrance applications, where its nitrile group can be hydrolyzed to carboxylic acids or reduced to amines. This adaptability answers queries such as "How to modify 2-(2-methylcyclopropyl)acetonitrile for fragrance use?"—a niche yet growing area. Additionally, its potential in electronic materials, particularly as a precursor for conductive polymers, is under exploration, tapping into the booming flexible electronics market.

Regulatory and safety profiles of CAS 159045-22-4 are rigorously documented, with data sheets emphasizing proper handling to avoid irritation. However, its classification as non-hazardous under normal conditions makes it preferable for scalable processes. Environmental impact studies, including "biodegradation pathways of nitrile compounds," further support its sustainable profile.

In conclusion, 2-(2-methylcyclopropyl)acetonitrile exemplifies innovation at the intersection of chemistry and industry needs. Its relevance in drug discovery, green chemistry, and advanced materials ensures continued research interest. For professionals seeking "reliable CAS 159045-22-4 technical data" or "custom synthesis options," this compound offers a compelling case study in functional molecular design.

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