Direct Assignment of the Relative Configuration in 1,3,n-Methyl-Branched Carbon Chains by 1H NMR Spectroscopy
Direct Assignment of the Relative Configuration in 1,3,n-Methyl-Branched Carbon Chains by 1H NMR Spectroscopy
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DOI：
10.1021/ol1005399
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发表时间：
2010-05-21
期刊：
影响因子：
5.2
通讯作者：
Breit, Bernhard
中科院分区：
文献类型：
--
作者：
Schmidt, Yvonne;Breit, Bernhard
根据1H-1 NMR中亚甲基质子信号的归属和化学位移差的测定，可直接确定1，3，n-甲基支化脱氧丙酸酯的相对构型。在相应的顺式和反式配置的化合物对的化学位移的比较显示出显着的差异，而绝对值取决于相邻官能团的存在和性质。Δ Δ值的测定提供了1，3，n-甲基支化的聚丙酸酯链的相对构型的可靠评估，甚至对大环化合物也是有效的。
On the basis of the assignment of methylene proton signals in H-1 NMR and determination of the chemical shift difference (Delta delta), the relative configuration of 1,3,n-methyl-branched deoxypropionates can be determined directly. Comparison of the chemical shifts in the corresponding syn- and anti-configured compound pairs shows remarkable differences, while the absolute values depend on the presence and nature of adjacent functional groups. The determination of the Delta delta values provides a reliable assessment of the relative configuration in 1,3,n-methyl-branched polypropionate chains and is even valid for macrocycles.