5α-雄甾烷-3,17二-酮在一元溶剂中的红外光谱

Infrared Spectral Studies of 5α-Androstane-3,17-Dione in Single Solvents

在20种不同纯有机溶剂中,研究了5α-雄甾烷-3,17-二酮C3位和C17位羰基的红外光谱。将其羰基伸缩振动频率分别与经验溶剂参数如溶剂接受数AN、Brownstein的溶剂参数S和Schleyer线性自由能方程参数G值进行了相关分析。结果表明,C3位C=O在一元溶剂体系中出现2种谱带,而C17位C=O则出现3种谱带。羰基伸缩振动频率位移与AN值、G值具有较好的线性相关性,而在非醇溶剂中与S值线性相关较差。采用简单化合物丙酮分别对溶剂硝基苯、乙腈、二氯甲烷和氯仿的S值进行修正,并将复杂甾酮化合物5α-雄甾烷-3,17-二酮的羰基红外频率与S修正值进行线性分析,相关性良好。

Infrared spectral studies of the C3 and C17 carbonyl for 5α-androstane-3,17-dione（5α-ASDO）in 20 different pure organic solvents were undertaken.The wavenumbers of the carbonyl stretching vibration for 5α-ASDO[ν（C=O）] were correlated with the empirical solvent parameters such as the solvent acceptor number（AN）,Brownstein＇s parameter S and Schleyer＇s linear free energy equation（G-value）,respectively.Two types of C3 and three types of C17 carbonyl stretching vibration bands of 5α-ASDO were observed in individual solvent systems,respectively.There was strong correlation between wavenumber shift of the carbonyl stretching vibration with the solvent parameters AN and G-value,but not good one with S-value in non-alcohol solvents.Simple compound acetone was selected to correct the S-value of nitrobenzene,acetonitrile,dichloromethane and chloroform,and the correlative analysis between ν（C=O） of complex compound 5α-ASDO and the S-value revised was carried out in a good result.