CAS 76163-96-7

[(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

Description:

The chemical substance known as [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate, with the CAS number 76163-96-7, is a bicyclic compound characterized by its unique structural features. It contains a bicyclo[3.1.1]heptane framework, which contributes to its rigidity and potential for stereochemical diversity due to the presence of chiral centers. The compound features a ketone functional group (4-oxo) and an ester moiety (methyl 2,2-dimethylpropanoate), which can influence its reactivity and solubility properties. The presence of multiple methyl groups enhances its hydrophobic character, potentially affecting its interactions in biological systems. This compound may exhibit interesting biological activities, making it of interest in medicinal chemistry and synthetic applications. Its stereochemistry, particularly the (1R,5S) configuration, suggests specific spatial arrangements that could impact its pharmacological properties. Overall, this compound represents a complex structure with potential applications in various fields, including organic synthesis and drug development.

Formula: C₁₅H₂₂O₃

InChI: InChI=1S/C15H22O3/c1-14(2,3)13(17)18-8-9-6-12(16)11-7-10(9)15(11,4)5/h6,10-11H,7-8H2,1-5H3/t10-,11+/m0/s1

InChI key: InChIKey=NJIUSKQTOGHXSZ-WDEREUQCSA-N

SMILES: C(OC(C(C)(C)C)=O)C=1[C@]2(C(C)(C)[C@](C2)(C(=O)C1)[H])[H]

Synonyms:

• Propanoic acid, 2,2-dimethyl-, (6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl)methyl ester, (1R)-
• Propanoic acid, 2,2-dimethyl-, [(1R,5S)-6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl ester
• Propanoicacid, 2,2-dimethyl-, (6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl)methylester, (1R)-
• [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate