CAS 125109-97-9

Methyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate

Description:

Methyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate is a complex organic compound characterized by its unique bicyclic structure, which incorporates both pyridine and diazocine moieties. This compound features a tetrahydro configuration, indicating the presence of saturated carbon rings, and an oxo group, which contributes to its reactivity and potential biological activity. The methyl ester functional group suggests that it may exhibit properties typical of esters, such as solubility in organic solvents and potential for hydrolysis. The stereochemistry, denoted by the (1R,5R) configuration, implies specific spatial arrangements of atoms that can influence the compound's interactions and biological activity. This substance may be of interest in medicinal chemistry due to its structural complexity and potential pharmacological properties, although specific applications and biological effects would require further investigation. Overall, its intricate structure and functional groups make it a candidate for research in various chemical and pharmaceutical contexts.

Formula: C₁₃H₁₆N₂O₃

InChI: InChI=1S/C13H16N2O3/c1-18-13(17)14-6-9-5-10(8-14)11-3-2-4-12(16)15(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1

InChI key: InChIKey=XPJCPQOVGUMVLU-VHSXEESVSA-N

SMILES: C(OC)(=O)N1C[C@@]2(C=3N(C[C@@](C2)(C1)[H])C(=O)C=CC3)[H]

Synonyms:

• 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylic acid, 1,5,6,8-tetrahydro-8-oxo-, methyl ester, (1R,5R)-
• N-(Methoxycarbonyl)cytisine
• Methyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate
• N-Carbomethoxycytisine
• 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylic acid, 1,5,6,8-tetrahydro-8-oxo-, methyl ester, (1R)-