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CAS 885275-79-6

:

α-2-Benzofuranyl-4-[(1,1-dimethylethoxy)carbonyl]hexahydro-1H-1,4-diazepine-1-acetic acid

Description:
α-2-Benzofuranyl-4-[(1,1-dimethylethoxy)carbonyl]hexahydro-1H-1,4-diazepine-1-acetic acid, with CAS number 885275-79-6, is a synthetic organic compound characterized by its complex structure, which includes a benzofuran moiety and a hexahydro-1H-1,4-diazepine ring. This compound features a carboxylic acid functional group, contributing to its potential acidity and reactivity. The presence of the dimethylethoxycarbonyl group suggests it may exhibit specific steric and electronic properties, influencing its solubility and interaction with biological systems. The hexahydro-1H-1,4-diazepine structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with various biological targets. The compound's characteristics, including its molecular weight, melting point, and solubility, would be essential for understanding its behavior in different environments and its potential applications in drug formulation or other chemical processes. Further studies would be necessary to elucidate its pharmacological properties and mechanisms of action.
Formula:C20H26N2O5
InChI:InChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)22-10-6-9-21(11-12-22)17(18(23)24)16-13-14-7-4-5-8-15(14)26-16/h4-5,7-8,13,17H,6,9-12H2,1-3H3,(H,23,24)
InChI key:InChIKey=IPNVAELLYIYJQT-UHFFFAOYSA-N
SMILES:C(C(O)=O)(C1=CC=2C(O1)=CC=CC2)N3CCN(C(OC(C)(C)C)=O)CCC3
Synonyms:
  • 1-BOC-4-(BENZOFURAN-2-YL-CARBOXY-METHYL)-[1,4]DIAZEPANE
  • 1H-1,4-Diazepine-1-acetic acid, α-2-benzofuranyl-4-[(1,1-dimethylethoxy)carbonyl]hexahydro-
  • α-2-Benzofuranyl-4-[(1,1-dimethylethoxy)carbonyl]hexahydro-1H-1,4-diazepine-1-acetic acid
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