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• 92543-75-4 2-(2-{2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy}ethoxy)-1,3-dimethylbenzene 
• 31255-10-4 1,2-bis-(2-bromo-ethoxy)-ethane 
• 576-26-1 2.6-dimethylphenol 
• 849587-68-4 1,8-bis(2,6-dihydroxyphenoxy)-3,6-dioxaoctane 
• 849587-67-3 1,8-bis(2,6-diformylphenoxy)-3,6-dioxaoctane 

Relevant academic research and scientific papers

Conformational behavior of dithia[n.3.3](1,3,5)cyclophanes and dithia[n.3.3](1,2,6)cyclophanes

The conformational behavior of a series of crown-fused dithia[n.3.3](1,2,6) cyclophanes (126-CPs) and dithia[n.3.3](1,3,5)cyclophanes (135-CPs) was investigated by variable-temperature 1H and 13C NMR spectroscopy, X-ray crystallography and density functional theory (DFT) calculations. Single crystal X-ray structure analysis showed that two thia-bridges in 126-CPs adopted a pseudochair-pseudochair (cc) conformation and the cyclophane decks underwent a ring-tilting motion in the case of [10.3.3](1,2,6)cyclophane (1a). In contrast, the thia-bridges in 135-CPs took both cc and pseudoboat-pseudochair (bc) conformations, and the ring-tilting process was also found in [10.3.3](1,3,5)cyclophane (2a). Variable temperature 1H NMR study revealed that there was no wobbling-motion for two thia-bridges in 126-CPs while thia-bridges in 135-CPs experienced a wobbling-process with a conformational barrier of 9.21 and 8.80 kcal mol -1, respectively, for 2a and [13.3.3](1,3,5)cyclophane (2b). DFT calculations for the two cyclophanes series revealed that 126-CPs preferred a cc conformation which was consistent with the experimental observation; similarly, 135-CPs took a preferential cc conformation, agreeing with 2a having a predominant cc conformer (cc:bc ratio=70:30), but not 2b having a predominant bc conformer (cc:bc ratio=15:85) in the solid state.