Cas no 20654-46-0 (2,2-dimethylbutanenitrile)

2,2-dimethylbutanenitrile structure
2,2-dimethylbutanenitrile structure
Product Name:2,2-dimethylbutanenitrile
CAS No:20654-46-0
MF:C6H11N
MW:97.1582415103912
CID:1395463
PubChem ID:12754184
Update Time:2025-11-02

2,2-dimethylbutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 2,2-dimethyl-
    • 2,2-dimethylbutyronitrile
    • 2,2-dimethylbutanenitrile
    • EN300-178260
    • DTXSID801318822
    • G40091
    • 20654-46-0
    • AKOS012320702
    • Z1079179196
    • Dimethylaethylessigsaurenitril
    • Inchi: 1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3
    • InChI Key: OSEGNECCBMDWRB-UHFFFAOYSA-N
    • SMILES: N#CC(C)(C)CC

Computed Properties

  • Exact Mass: 97.08923
  • Monoisotopic Mass: 97.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 94
  • 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: 1.7
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79

2,2-dimethylbutanenitrile Pricemore >>

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Additional information on 2,2-dimethylbutanenitrile

Comprehensive Overview of 2,2-Dimethylbutanenitrile (CAS No. 20654-46-0): Properties, Applications, and Industry Insights

2,2-Dimethylbutanenitrile (CAS 20654-46-0), a specialized organic compound, has garnered significant attention in industrial and research sectors due to its unique chemical structure and versatile applications. This nitrile derivative, characterized by its branched alkyl chain, serves as a critical intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its molecular formula, C6H11N, and distinct nitrile functional group make it a valuable building block for carbon-carbon bond formation and heterocyclic synthesis.

In recent years, the demand for 2,2-dimethylbutanenitrile has surged, driven by its role in green chemistry initiatives. Researchers are exploring its potential as a sustainable solvent alternative, aligning with global trends toward eco-friendly manufacturing. The compound’s low toxicity and biodegradability profile further enhance its appeal for applications in biocatalysis and green synthesis, addressing frequent user queries like "eco-friendly nitrile compounds" or "non-toxic chemical intermediates."

From a technical perspective, CAS 20654-46-0 exhibits a boiling point of approximately 140–145°C and a density of 0.81 g/cm3, making it suitable for high-temperature reactions. Its stability under acidic and basic conditions has spurred interest in catalytic hydrogenation processes, a topic frequently searched in academic databases. Notably, its lipophilic nature enables applications in flavor and fragrance industries, where it acts as a precursor for musk-like compounds.

The pharmaceutical sector leverages 2,2-dimethylbutanenitrile for synthesizing chiral auxiliaries and active pharmaceutical ingredients (APIs). Recent patents highlight its utility in anticancer drug scaffolds, resonating with trending searches such as "nitriles in drug discovery." Additionally, its compatibility with microwave-assisted synthesis techniques aligns with industry demands for time-efficient methodologies.

Quality control of 20654-46-0 adheres to stringent protocols, with HPLC and GC-MS being standard analytical tools. Suppliers often emphasize ≥98% purity grades, catering to laboratories requiring high-precision reagents. Storage recommendations typically include inert atmospheres and moisture-free environments to prevent hydrolysis of the nitrile group, a common concern among end-users.

Emerging applications in material science have expanded the compound’s relevance. Studies demonstrate its efficacy as a crosslinking agent in polymer chemistry, particularly for high-performance elastomers. This intersects with popular queries like "nitrile-based polymers" and "advanced material additives," reflecting broader industrial trends.

Regulatory compliance for 2,2-dimethylbutanenitrile varies by region, but it generally falls under standard chemical safety guidelines. Safety Data Sheets (SDS) recommend PPE usage during handling, addressing frequent workplace safety searches. Environmental impact assessments classify it as readily biodegradable, a feature increasingly prioritized in ESG-focused industries.

Market analyses project steady growth for CAS 20654-46-0, fueled by expanding fine chemical production in Asia-Pacific regions. Strategic partnerships between custom synthesis providers and pharmaceutical giants have further solidified its supply chain. Industry forums frequently discuss "bulk nitrile suppliers" and "scalable nitrile synthesis," underscoring its commercial significance.

Innovation continues to shape 2,2-dimethylbutanenitrile applications. Recent breakthroughs include its use in flow chemistry systems and continuous manufacturing setups, topics dominating process chemistry discussions. Academic publications increasingly feature its photocatalytic transformations, tapping into the "visible-light catalysis" research trend.

For researchers seeking spectroscopic data, 20654-46-0 exhibits characteristic IR absorption at ~2240 cm-1 (C≡N stretch) and 13C NMR signals at 120–125 ppm. These technical details respond to common "nitrile compound characterization" queries in analytical chemistry circles.

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