CAJ | 학술논문

NMR核磁共振谱显示3,5-二甲基金刚胺盐酸盐是一个刚性结构,但其分子结构包含2个非对映体的立体构型形式.我们通过利用DEPT,1H-1H COSY,HSQC和HMBC等技术所测得的二维谱图数据对NMR数据进行了完整的归属分析,其中13CNMR谱图显示在δ=29～54 ppm之间的十组峰表示所有碳的共振,而且由于不同的分子构象导致在13C NMR谱中有3个不同的季碳峰和1H NMR中的2个不同的甲基峰.由于H5的叔碳H原子与邻近CH2的平面二面夹角均约为600,致使耦合常数极其小,波谱仪难以分辨它们从而使1H NMR峰为单重峰.
NMR핵자공진보현시3,5-이갑기금강알염산염시일개강성결구,단기분자결구포함2개비대영체적입체구형형식.아문통과이용DEPT,1H-1H COSY,HSQC화HMBC등기술소측득적이유보도수거대NMR수거진행료완정적귀속분석,기중13CNMR보도현시재δ=29～54 ppm지간적십조봉표시소유탄적공진,이차유우불동적분자구상도치재13C NMR보중유3개불동적계탄봉화1H NMR중적2개불동적갑기봉.유우H5적숙탄H원자여린근CH2적평면이면협각균약위600,치사우합상수겁기소,파보의난이분변타문종이사1H NMR봉위단중봉.
1H and 13C NMR spectroscopy was used to study the structure and configuration of 3,5-dimethyladamantanamine hydrochloride salt.Complete NMR assignments were made using DEPT.1H-1H COSY,HSQC and HMBC techniques.The NMR data indicated that the compound has a rigid structure and is comprised of two diastereomeric forms.There are ten peaks in the 13C NMR spectrum of the compound within the region δc 29～54 ppm.Because the compound has two different molecular configurations,there exist three peaks of quaternary carbons in the 13C NMR spectrum and two peaks of methyl groups in the 1H NMR spectrum.The two plane angles between the tertiary proton H5 and three adiacent CH2 are near 60,resulting in very small coupling constants among these protons.Consequently,the resonance of these protons can not be resolved and presents as a singlet in the 1H spectrum.