CAS 903557-33-5

1,1-Dimethylethyl N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

Description:

1,1-Dimethylethyl N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate, identified by its CAS number 903557-33-5, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a dimethyl group attached to a tert-butyl moiety, along with a cyano-substituted indene derivative. The presence of the carbamate functional group indicates that it may exhibit properties typical of this class, such as potential biological activity and the ability to form hydrogen bonds. The compound's stereochemistry, particularly the (1S) configuration, suggests specific spatial arrangements that could influence its reactivity and interactions with biological targets. Additionally, the cyano group may impart unique electronic properties, potentially affecting its solubility and reactivity. Overall, this compound's characteristics make it of interest in various fields, including medicinal chemistry and agrochemicals, where its biological activity could be explored further.

Formula: C₁₅H₁₈N₂O₂

InChI: InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-5-11-8-10(9-16)4-6-12(11)13/h4,6,8,13H,5,7H2,1-3H3,(H,17,18)/t13-/m0/s1

InChI key: InChIKey=MGRQZBYHVQSEQQ-ZDUSSCGKSA-N

SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C=2C(=CC(C#N)=CC2)CC1

Synonyms:

• 1,1-Dimethylethyl N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
• Carbamic acid, [(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
• Carbamic acid, N-[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester