CAS 1209492-90-9

1,1-Dimethylethyl N-[[4-(2-hydroxy-1-phenylethoxy)benzo[b]thien-2-yl]iminomethyl]carbamate

Description:

1,1-Dimethylethyl N-[[4-(2-hydroxy-1-phenylethoxy)benzo[b]thien-2-yl]iminomethyl]carbamate, identified by its CAS number 1209492-90-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a carbamate functional group and a thienyl moiety. This compound features a dimethyl group that contributes to its steric properties, potentially influencing its reactivity and solubility. The presence of a hydroxyphenyl ether suggests potential for hydrogen bonding and increased polarity, which may enhance its solubility in polar solvents. The thienyl ring system can impart unique electronic properties, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the compound's structure indicates potential biological activity, possibly related to its interactions with biological targets. However, specific data on its physical properties, such as melting point, boiling point, and solubility, would require empirical investigation or literature reference for comprehensive characterization.

Formula: C₂₂H₂₄N₂O₄S

InChI: InChI=1S/C22H24N2O4S/c1-22(2,3)28-21(26)24-20(23)19-12-15-16(10-7-11-18(15)29-19)27-17(13-25)14-8-5-4-6-9-14/h4-12,17,25H,13H2,1-3H3,(H2,23,24,26)

InChI key: InChIKey=RUANALAZIYIMDQ-UHFFFAOYSA-N

SMILES: O(C(CO)C1=CC=CC=C1)C2=C3C(SC(C(NC(OC(C)(C)C)=O)=N)=C3)=CC=C2

Synonyms:

• 1,1-Dimethylethyl N-[[4-(2-hydroxy-1-phenylethoxy)benzo[b]thien-2-yl]iminomethyl]carbamate
• Carbamic acid, N-[[4-(2-hydroxy-1-phenylethoxy)benzo[b]thien-2-yl]iminomethyl]-, 1,1-dimethylethyl ester