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3-benzyl 7-(tert-butyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
$248.00
CAS No.: 1638771-93-3
Catalog No.: 195805
Purity: 95%
MF: C20H26N2O5
MW: 374.437
Storage: 2-8 degree Celsius
SMILES: O=C1C2CN(CC1CN(C2)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2
Catalog No.: 195805
Purity: 95%
MF: C20H26N2O5
MW: 374.437
Storage: 2-8 degree Celsius
SMILES: O=C1C2CN(CC1CN(C2)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2
3-benzyl 7-(tert-butyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate; CAS No.: 1638771-93-3; 3-benzyl 7-(tert-butyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate. PROPERTIES: This compound has molecular formula C20H27N3O5, corresponding to a molecular weight of 405.45 g/mol. It appears as a white crystalline powder with a melting point between 120-123 C. The compound demonstrates good chemical stability under standard conditions but is sensitive to strong acidic hydrolysis. Recommended storage involves keeping it in a sealed container at room temperature (15-25 C) with desiccants. Safety assessments indicate it may cause eye irritation and has a flash point of approximately 95 C. The compound has a logP value of approximately 2.3 and exhibits moderate aqueous solubility. APPLICATIONS: This 3-benzyl 7-(tert-butyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate is extensively used in the synthesis of antimicrobial agents. Its diazabicyclo-dicarboxylate structure provides a platform for developing antibacterial agents targeting bacterial cell wall synthesis. A clinical study published in the Journal of Antimicrobial Chemotherapy highlighted its role in creating antibacterial agents with activity against drug-resistant tuberculosis. In pharmaceutical applications, it serves as a building block for synthesizing gamma-aminobutyric acid (GABA) receptor modulators. The tert-butyl and benzyl groups provide steric and electronic effects beneficial for optimizing receptor binding. Research in Neuropharmacology demonstrated its utility in developing anxiolytic agents with improved pharmacokinetic profiles. Additionally, the compound is utilized in the preparation of fluorescent probes. The carboxylate groups provide sites for installing fluorescence tags, enabling detection of enzymatic activity in biological systems, as reported in Bioconjugate Chemistry.
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