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CAS 172695-25-9

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1,1-Dimethylethyl N-[(1S)-1-(cyanomethyl)-2-phenylethyl]carbamate

Description:
1,1-Dimethylethyl N-[(1S)-1-(cyanomethyl)-2-phenylethyl]carbamate, with the CAS number 172695-25-9, is a chemical compound characterized by its unique structure that includes a carbamate functional group. This compound features a tert-butyl group (1,1-dimethylethyl) attached to a nitrogen atom, which is further linked to a chiral center containing a cyanomethyl and a phenylethyl moiety. The presence of the cyanomethyl group suggests potential reactivity, particularly in nucleophilic addition reactions. The phenylethyl component may contribute to the compound's hydrophobic characteristics, influencing its solubility and interaction with biological systems. Additionally, the chirality of the molecule indicates that it may exhibit stereospecific properties, which can be significant in pharmacological applications. Overall, this compound's structural features suggest potential utility in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, although specific applications would depend on further research into its biological activity and stability.
Formula:C15H20N2O2
InChI:InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-13(9-10-16)11-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChI key:InChIKey=BEJMQXQXIQDKCZ-CYBMUJFWSA-N
SMILES:[C@@H](CC1=CC=CC=C1)(NC(OC(C)(C)C)=O)CC#N
Synonyms:
  • Carbamic acid, [(1S)-1-(cyanomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1S)-1-(cyanomethyl)-2-phenylethyl]carbamate
  • Carbamic acid, [1-(cyanomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester, (S)-
  • (S)-tert-Butyl(1-cyano-3-phenylpropan-2-yl)carbamate
  • Carbamic acid, N-[(1S)-1-(cyanomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
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