CAS 1159908-22-1

1,1-Dimethylethyl (4aS,7aS)-hexahydro-6-[(4-methylphenyl)sulfonyl]pyrrolo[3,4-b]-1,4-oxazine-4(4aH)-carboxylate

Description:

1,1-Dimethylethyl (4aS,7aS)-hexahydro-6-[(4-methylphenyl)sulfonyl]pyrrolo[3,4-b]-1,4-oxazine-4(4aH)-carboxylate, with CAS number 1159908-22-1, is a complex organic compound characterized by its unique structural features, including a pyrrolo-oxazine core and a sulfonyl group attached to a phenyl ring. This compound exhibits chirality due to the presence of stereocenters, which can influence its biological activity and interactions. The dimethyl group contributes to its steric bulk, potentially affecting its solubility and reactivity. The sulfonyl group enhances its chemical stability and may play a role in its pharmacological properties. Such compounds are often investigated for their potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the carboxylate moiety suggests potential for forming salts or participating in acid-base reactions. Overall, the compound's intricate structure and functional groups make it a subject of interest in various chemical and biological studies.

Formula: C₁₈H₂₆N₂O₅S

InChI: InChI=1S/C18H26N2O5S/c1-13-5-7-14(8-6-13)26(22,23)19-11-15-16(12-19)24-10-9-20(15)17(21)25-18(2,3)4/h5-8,15-16H,9-12H2,1-4H3/t15-,16-/m0/s1

InChI key: InChIKey=YQIWLBPEEIZWBJ-HOTGVXAUSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@@]2([C@](CN(S(=O)(=O)C3=CC=C(C)C=C3)C2)(OCC1)[H])[H]

Synonyms:

• 1,1-Dimethylethyl (4aS,7aS)-hexahydro-6-[(4-methylphenyl)sulfonyl]pyrrolo[3,4-b]-1,4-oxazine-4(4aH)-carboxylate
• Pyrrolo[3,4-b]-1,4-oxazine-4(4aH)-carboxylic acid, hexahydro-6-[(4-methylphenyl)sulfonyl]-, 1,1-dimethylethyl ester, (4aS,7aS)-