CAS 112741-51-2

1,1-Dimethylethyl (3S,5S,6R)-3-bromo-2-oxo-5,6-diphenyl-4-morpholinecarboxylate

Description:

1,1-Dimethylethyl (3S,5S,6R)-3-bromo-2-oxo-5,6-diphenyl-4-morpholinecarboxylate, with CAS number 112741-51-2, is a complex organic compound characterized by its unique structural features. It contains a morpholine ring, which contributes to its potential biological activity, and multiple phenyl groups that enhance its lipophilicity. The presence of a bromo substituent indicates potential reactivity, making it useful in various synthetic applications. The compound's stereochemistry, denoted by the (3S,5S,6R) configuration, suggests specific spatial arrangements that can influence its interactions with biological targets. Additionally, the carboxylate functional group may impart acidic properties, affecting solubility and reactivity in different environments. Overall, this compound's intricate structure and functional groups suggest potential applications in medicinal chemistry and materials science, although specific biological activities and properties would require further investigation through experimental studies.

Formula: C₂₁H₂₂BrNO₄

InChI: InChI=1S/C21H22BrNO4/c1-21(2,3)27-20(25)23-16(14-10-6-4-7-11-14)17(26-19(24)18(23)22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17+,18+/m0/s1

InChI key: InChIKey=NOVNBQKUIAJJBO-RCCFBDPRSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H]([C@H](OC(=O)[C@@H]1Br)C2=CC=CC=C2)C3=CC=CC=C3

Synonyms:

• 4-Morpholinecarboxylic acid, 3-bromo-2-oxo-5,6-diphenyl-, 1,1-dimethylethyl ester, (3S,5S,6R)-
• 4-Morpholinecarboxylic acid, 3-bromo-2-oxo-5,6-diphenyl-, 1,1-dimethylethyl ester, [3S-(3α,5β,6β)]-
• 1,1-Dimethylethyl (3S,5S,6R)-3-bromo-2-oxo-5,6-diphenyl-4-morpholinecarboxylate
• (3S,5S,6R)-tert-Butyl 3-bromo-2-oxo-5,6-diphenylmorpholine-4-carboxylate
• 3-Bromo-4-t-butoxycarbonyl-5,6-diphenyl-2,3,5,6-tetrahydro-4H-oxazin-2-one
• D-N-Boc-3-methylmorpholine