CAS 736181-19-4

1,1-Dimethylethyl (3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

Description:

1,1-Dimethylethyl (3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate, with the CAS number 736181-19-4, is a bicyclic compound characterized by its unique structural framework that includes a bicyclo[3.2.1]octane core. This compound features a hydroxyl group and a carboxylate moiety, which contribute to its potential reactivity and solubility in various solvents. The presence of the dimethyl group enhances its steric bulk, influencing its interactions with biological systems and other chemical entities. The azabicyclic structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to mimic natural products or interact with biological targets. Additionally, the compound's stereochemistry, particularly the endo configuration, may play a crucial role in its biological activity and pharmacokinetics. Overall, this compound represents a fascinating area of study within organic and medicinal chemistry, with implications for drug design and synthesis.

Formula: C₁₂H₁₉NO₃

InChI: InChI=1/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h4-5,8-10,14H,6-7H2,1-3H3/t8-,9+,10+

InChI key: InChIKey=VPPNEYDCDGNCQV-MYJAWHEDNA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@]2(C=C[C@@]1(C[C@H](O)C2)[H])[H]

Synonyms:

• 8-Azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-endo)-
• 1,1-Dimethylethyl (3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate