CAJ | 학술논문

多虑平类化合物在溶液体系中可能存在着构象交换过程，在其核磁共振图谱中出现的谱线展宽（包峰）或缺失现象增加了化合物结构解析的难度，甚至产生误导。该文以多虑平类化合物11-[（3-二甲基氨基）亚丙基]-6，11-二氢二苯并[ b，e]氧杂-2-甲醛为样本，通过改变实验条件证明该化合物在几种溶液体系中均存在着构象交换。实验表明升温可以改善这类化合物的核磁共振测试效果，在80℃下获取的谱图信号清晰完整，信号展宽和缺失现象得到有效抑制。利用升温条件下获取的谱图，顺利实现了对11-[（3-二甲基氨基）亚丙基]-6，11-二氢二苯并[ b，e]氧杂-2-甲醛的结构解析。
다필평류화합물재용액체계중가능존재착구상교환과정，재기핵자공진도보중출현적보선전관（포봉）혹결실현상증가료화합물결구해석적난도，심지산생오도。해문이다필평류화합물11-[（3-이갑기안기）아병기]-6，11-이경이분병[ b，e]양잡-2-갑철위양본，통과개변실험조건증명해화합물재궤충용액체계중균존재착구상교환。실험표명승온가이개선저류화합물적핵자공진측시효과，재80℃하획취적보도신호청석완정，신호전관화결실현상득도유효억제。이용승온조건하획취적보도，순리실현료대11-[（3-이갑기안기）아병기]-6，11-이경이분병[ b，e]양잡-2-갑철적결구해석。
ln this work,NMR spectral characteristics of doxepin compounds were investigated with various experimental conditions, taking 11-( 3-dimethylaminopropylidene )-6, 11-dihydro-dibenzo [ b,e]oxepine-2- carbaldehyde( DP)as the testing sample. The conformation exchange of DP was confirmed. lt was proved that the NMR spectral characteristics would depend on the experimental conditions,and the temperature would greatly affect the characteristics of the signals. Under the room temperature,the phenomena of signal broadening and missing were observed. As a result,the NMR signal assignment could not be accomplished. These phenomena could be improved with in-crease of temperature. The abnormal phenomena were effectively inhibited at 80 ℃. Finally,the complete assignment was presented and configuration was confirmed.