CymitQuimica logo

CAS 872624-60-7

:

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

Description:
1,1-Dimethylethyl (5R)-2,3,4,5-tetrahydro-5-hydroxy-7-methyl-8-(trifluoromethyl)-1H-1-benzazepine-1-carboxylate, identified by its CAS number 872624-60-7, is a chemical compound characterized by its complex structure, which includes a benzazepine core. This compound features a tetrahydro structure, indicating it has a saturated ring system, and contains multiple functional groups, including a hydroxy group and a carboxylate ester. The presence of a trifluoromethyl group suggests enhanced lipophilicity and potential biological activity, as trifluoromethyl groups can influence the pharmacokinetics and pharmacodynamics of organic molecules. The stereochemistry indicated by the (5R) designation implies specific spatial arrangements of atoms, which can significantly affect the compound's reactivity and interactions with biological targets. Overall, this compound may exhibit interesting properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and functional groups.
Formula:C17H22F3NO3
InChI:InChI=1S/C17H22F3NO3/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/h8-9,14,22H,5-7H2,1-4H3/t14-/m1/s1
InChI key:InChIKey=PCWLNIVCVKFQRY-CQSZACIVSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=CC(C)=C(C(F)(F)F)C2)[C@H](O)CCC1
Synonyms:
  • (R)-tert-Butyl 5-hydroxy-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
  • 1,1-Dimethylethyl (5R)-2,3,4,5-tetrahydro-5-hydroxy-7-methyl-8-(trifluoromethyl)-1H-1-benzazepine-1-carboxylate
  • (R)-tert-Butyl 5-hydroxy-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate
  • 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-methyl-8-(trifluoromethyl)-, 1,1-dimethylethyl ester, (5R)-
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 2 products.