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CAS 872624-59-4

:

1,1-Dimethylethyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-8-(trifluoromethyl)-1H-1-benzazepine-1-carboxylate

Description:
1,1-Dimethylethyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-8-(trifluoromethyl)-1H-1-benzazepine-1-carboxylate, with the CAS number 872624-59-4, is a synthetic organic compound characterized by its complex structure, which includes a benzazepine core. This compound features a trifluoromethyl group, contributing to its unique chemical properties, such as increased lipophilicity and potential biological activity. The presence of a carboxylate functional group suggests it may participate in various chemical reactions, including esterification and nucleophilic substitutions. The tetrahydro structure indicates that it is a saturated derivative, which may influence its reactivity and stability. Additionally, the presence of multiple methyl groups can enhance steric hindrance, potentially affecting its interaction with biological targets. This compound may be of interest in medicinal chemistry and pharmacology due to its structural features, which could lead to the development of novel therapeutic agents. However, specific biological activities and applications would require further investigation through empirical studies.
Formula:C17H20F3NO3
InChI:InChI=1S/C17H20F3NO3/c1-10-8-11-13(9-12(10)17(18,19)20)21(7-5-6-14(11)22)15(23)24-16(2,3)4/h8-9H,5-7H2,1-4H3
InChI key:InChIKey=KBBDHKWIVAXDJJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=CC(C)=C(C(F)(F)F)C2)C(=O)CCC1
Synonyms:
  • 1,1-Dimethylethyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-8-(trifluoromethyl)-1H-1-benzazepine-1-carboxylate
  • tert-Butyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate
  • 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-8-(trifluoromethyl)-, 1,1-dimethylethyl ester
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