两个1,4-二酮衍生物的顺反异构体的确定及其1H,^(13)C核磁共振信号归属

The determination of cis/trans-isomers and complete ~1H and ^(13)C assignments of aryl substituent 1,4-dicarbonyl derivatives

应用一系列一维和二维核磁共振实验包括梯度选择性1H-1H同核相关谱(gCOSY)1、H-13C异核单量子相干谱(gHSQC)1、H-13C异核多量子相干谱(gHMBC)以及核Overhauser效应谱(NOESY),对两个新型吡咯和呋喃衍生物的前体——1,4-二羰基衍生物(E)-1,4-di(benzo)[1,3]dioxol-5-yl)-2-(methylthio)but-2-ene-1,4-dione(A)和(Z)-1,4-di(benzo)[1,3]dioxol-5-yl)-2-(methylthio)but-2-ene-1,4-dione(B)的顺反异构体进行了确定,并对其1H,13C核磁共振信号进行了完全归属.

（ E）- 1,4-di （ benzo ） [ 1,3 ] dioxol-5-yl ）-2- （ methylthio ） but-2-ene- 1,4-dione （ A ） and（Z）-1, 4-di （benzo） [1,3] dioxol-5-yl）-2-（methylthio） but-2-ene-1,4-dione （B） were two olefinic isomers products containing 1,4-dicarbonyl group synthesized by a noval and efficient carbon-carbon double-bond-forming reaction starting from 1-（benzo[1,3] dioxol-5-yl） ethanone via the self-sorting tandem reaction strategy. The complete ^1H and ^13C NMR assignments are reported for the two new 1,4-dicarbonyl derivatives. 1D and 2D NMR experiments including ^1H-^1H correlation spectroscopy（COSY）,^1H-^13C heteronuclear single quantum coherence（HSQC）, heteronuclear multiple bond correlation（HMBC） and nuclear overhauser effect spectroscopy（NOESY） experiments were used for the assignments and determination of cis/trans-isomers of the two compounds.