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CAS 1638771-93-3

:

3,7-Diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester

Description:
3,7-Diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester, identified by CAS number 1638771-93-3, is a complex organic compound characterized by its bicyclic structure, which includes a diazabicyclo framework. This compound features two carboxylic acid functional groups, contributing to its potential acidity and reactivity. The presence of a ketone group (9-oxo) indicates a carbonyl functionality, which can participate in various chemical reactions, such as nucleophilic additions. The tert-butyl (1,1-dimethylethyl) and benzyl (phenylmethyl) substituents enhance its lipophilicity, potentially affecting its solubility and interaction with biological systems. The compound may exhibit interesting pharmacological properties due to its structural features, making it a candidate for further research in medicinal chemistry. Its synthesis and applications could be relevant in fields such as drug development or materials science, although specific biological activities and safety profiles would require thorough investigation.
Formula:C20H26N2O5
InChI:InChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)22-11-15-9-21(10-16(12-22)17(15)23)18(24)26-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI key:InChIKey=CZTAMWNCYHUMJO-UHFFFAOYSA-N
SMILES:O=C1C2CN(C(OC(C)(C)C)=O)CC1CN(C(OCC3=CC=CC=C3)=O)C2
Synonyms:
  • 3,7-Diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester
  • 3-(1,1-Dimethylethyl) 7-(phenylmethyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
  • 3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 7-(1,1-dimethylethyl) 3-(phenylmethyl) ester
  • 3-benzyl 7-tert-butyl 9-oxo-3,7-diaza-bicyclo[3.3.1]nonane-3,7-dicarboxylate
  • 7-O-benzyl 3-O-tert-butyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
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