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CAS 1196157-50-2

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1,1-Dimethylethyl 4-cyano-2-(1-methylethyl)-3-oxo-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl 4-cyano-2-(1-methylethyl)-3-oxo-1-pyrrolidinecarboxylate, identified by its CAS number 1196157-50-2, is a chemical compound that belongs to the class of pyrrolidine derivatives. This substance features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is characterized by the presence of various functional groups, including a cyano group and an ester group. The compound is likely to exhibit moderate to high lipophilicity due to the presence of bulky alkyl groups, which can influence its solubility and reactivity. Its structure suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the cyano group may impart unique reactivity, making it a candidate for further chemical transformations. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact of this compound would need to be evaluated through appropriate studies.
Formula:C13H20N2O3
InChI:InChI=1S/C13H20N2O3/c1-8(2)10-11(16)9(6-14)7-15(10)12(17)18-13(3,4)5/h8-10H,7H2,1-5H3
InChI key:InChIKey=BDCNCFJBSOATGK-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C(C(C)C)C(=O)C(C#N)C1
Synonyms:
  • 1,1-Dimethylethyl 4-cyano-2-(1-methylethyl)-3-oxo-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 4-cyano-2-(1-methylethyl)-3-oxo-, 1,1-dimethylethyl ester
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