Synthesis and Crystal Structure of the Derivative of Hydroquinone from Mannich Reaction  

作　　者：马朋高 张明杰 杨启超 于九皋 

机构地区：[1]DepartmentofChemistry,SchoolofScience,TianjinUniversity,Tianjin300072,China [2]DepartmentofChemistry,NanyangTeachers＇College,Nanyang,Henan473061,China

出　　处：《Chinese Journal of Structural Chemistry》2005年第3期311-314,共4页结构化学（英文）

基　　金：This work was financially supported by the Natural Science Foundation of Tianjin (No. 013606111)

摘　　要：The regioselective Mannich-type aminomethylation of hydroquinone afforded a nitrogen-containing compound, 2,5-bis-(morpholinomethyl)hydroquinone A, and its crystal structure was determined by single-crystal X-ray diffraction. Crystal data for A: C16H24N2O4, Mr = 308.37, orthorhombic, space group Pbca, a = 10.479(4), b = 10.298(4), c = 14.865(5) ?, V = 1604.3(11) ?3, Z = 4, Dc = 1.277 g/cm3, F(000) = 664, μ = 0.092 mm-1, GOF = 1.078, the final R = 0.0508 and wR = 0.1075 for 1416 observed reflections with I > 2σ(I). There exist two intramolecular O–H…N hy- drogen bonds between the phenolic O atoms and the morpholine N donors and the morpholino rings assume the preferred chair conformation.The regioselective Mannich-type aminomethylation of hydroquinone afforded a nitrogen-containing compound, 2,5-bis-(morpholinomethyl)hydroquinone A, and its crystal structure was determined by single-crystal X-ray diffraction. Crystal data for A: C16H24N2O4, Mr = 308.37, orthorhombic, space group Pbca, a = 10.479(4), b = 10.298(4), c = 14.865(5) ?, V = 1604.3(11) ?3, Z = 4, Dc = 1.277 g/cm3, F(000) = 664, μ = 0.092 mm-1, GOF = 1.078, the final R = 0.0508 and wR = 0.1075 for 1416 observed reflections with I > 2σ(I). There exist two intramolecular O–H…N hy- drogen bonds between the phenolic O atoms and the morpholine N donors and the morpholino rings assume the preferred chair conformation.

关 键 词：Mannich reactions PHENOLS AMINOMETHYLATION crystal structure 

分 类 号：O626[理学—有机化学]