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CAS 385440-72-2

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2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid,6-cyano-5-(phenylmethyl)-, 1,1-dimethylethyl ester, (1S,4S,6R)-

Description:
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, 6-cyano-5-(phenylmethyl)-, 1,1-dimethylethyl ester, (1S,4S,6R)-, is a complex organic compound characterized by its bicyclic structure, which includes a diazabicyclo framework. This compound features a carboxylic acid moiety and a cyano group, contributing to its potential reactivity and biological activity. The presence of the phenylmethyl group enhances its lipophilicity, which may influence its interaction with biological targets. The ester functionality indicates that it can undergo hydrolysis, potentially releasing the corresponding acid and alcohol. The stereochemistry, denoted by (1S,4S,6R), suggests specific spatial arrangements of atoms that can affect the compound's pharmacological properties. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for developing therapeutic agents. However, detailed studies would be necessary to fully understand its properties, reactivity, and potential applications in various fields, including pharmaceuticals and materials science.
Formula:C18H23N3O2
InChI:InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-12-14-9-15(21)16(10-19)20(14)11-13-7-5-4-6-8-13/h4-8,14-16H,9,11-12H2,1-3H3/t14-,15-,16-/m0/s1
InChI key:USMKPTUECHIFBQ-JYJNAYRXSA-N
SMILES:CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H](N2CC3=CC=CC=C3)C#N
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