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CAS 1196155-81-3

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1,1-Dimethylethyl 4-cyano-2-ethyl-3-oxo-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl 4-cyano-2-ethyl-3-oxo-1-pyrrolidinecarboxylate, identified by its CAS number 1196155-81-3, is a chemical compound that features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a cyano group (-CN) and an ester functional group, contributing to its reactivity and potential applications in organic synthesis. The dimethyl group attached to the carbon chain enhances steric hindrance, which can influence the compound's reactivity and interaction with other molecules. The presence of the ethyl group and the carbonyl functionality (ketone) suggests that it may exhibit interesting chemical properties, such as the ability to participate in nucleophilic addition reactions. This compound may be of interest in medicinal chemistry and materials science due to its structural features, which could lead to the development of novel pharmaceuticals or agrochemicals. However, specific properties such as solubility, melting point, and stability would require empirical data for precise characterization.
Formula:C12H18N2O3
InChI:InChI=1S/C12H18N2O3/c1-5-9-10(15)8(6-13)7-14(9)11(16)17-12(2,3)4/h8-9H,5,7H2,1-4H3
InChI key:InChIKey=HEQLFIDMGZNTDD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C(CC)C(=O)C(C#N)C1
Synonyms:
  • 1,1-Dimethylethyl 4-cyano-2-ethyl-3-oxo-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 4-cyano-2-ethyl-3-oxo-, 1,1-dimethylethyl ester
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