2,2-Dipropylvaleronitrile

• CAT Number: R021647
• CAS Number: 5340-48-7
• Molecular Formula: C11H21N
• Molecular Weight: 167.296
• Purity: ≥95%
• Synonyms: 4-Cyano-4-propylheptane; NSC 915; Tripropylacetonitrile; 2,2-Dipropylpentanenitrile
• Storage: Store at -20C
• IUPAC Name: 2,2-dipropylpentanenitrile
• InChI: InChI=1S/C11H21N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-9H2,1-3H3
• InChIKey: AWAHTDIOUIVENZ-UHFFFAOYSA-N
• SMILES: CCCC(CCC)(CCC)C#N

2,2-Dipropylvaleronitrile is a high-purity compound essential for advanced pharmaceutical and chemical research. This nitrile is crucial for studies involving synthetic intermediates, organic synthesis, and medicinal chemistry. Known for its stability and precise chemical properties, it integrates seamlessly into experimental protocols, providing reliable and consistent results for high-precision investigations in various scientific applications.

Reference

I. Duée, J. Berlan, G. Casamatta, H. Delmas, A.M. Wilhelm, R. Ratoarino, L. Vuiglio,
New process for the synthesis of the 2-propyl pentane nitrile under ultrasonic irradiation,
The Chemical Engineering Journal and the Biochemical Engineering Journal, Volume 59, Issue 2, 1995, Pages 121-126, ISSN 0923-0467,
https://doi.org/10.1016/0923-0467(94)02925-3. (https://www.sciencedirect.com/science/article/pii/0923046794029253)
Abstract: The synthesis of 2-propyl pentane nitrile (DPAN) is a key step in the synthesis of a drug (valproic acid). The usual process is based on sodium-amide-mediated alkylation of valeronitrile. We describe a possible new process, which makes use of metallic sodium. The reaction has been carried out with ultrasound and the results compared with those obtained under “silent” conditions with different stirring systems. Under sonication, a several percentage improvement of the chemical yield and selectivity, and a low rate increase are observed. The optimum temperature (about 25 °C) and sodium particle size (about 2 mm) have been determined.
Keywords: Carbanions; Alkylation; Ultrasound; Metallation; Reactor; Kinetics