CAS 1003589-97-6

1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate

Description:

1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate, with CAS number 1003589-97-6, is a complex organic compound characterized by its unique structural features, including a pyridoazepine core and a trifluoromethylsulfonyl group. This compound exhibits a range of chemical properties due to the presence of multiple functional groups, which can influence its reactivity and solubility. The trifluoromethylsulfonyl moiety is known for enhancing the compound's lipophilicity and potential biological activity. Additionally, the presence of the dimethyl group contributes to steric hindrance, which may affect the compound's interaction with biological targets. The compound's potential applications may include use in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation. Overall, its intricate structure and functional groups suggest that it could play a significant role in medicinal chemistry or related fields.

Formula: C₁₅H₁₉F₃N₂O₅S

InChI: InChI=1S/C15H19F3N2O5S/c1-14(2,3)24-13(21)20-8-6-10-4-5-12(19-11(10)7-9-20)25-26(22,23)15(16,17)18/h4-5H,6-9H2,1-3H3

InChI key: InChIKey=LXTCMLXMXJKNMK-UHFFFAOYSA-N

SMILES: O(S(C(F)(F)F)(=O)=O)C=1N=C2C(=CC1)CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate
• 7H-Pyrido[2,3-d]azepine-7-carboxylic acid, 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester