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莰烯酸薄荷酯的合成及其晶体结构
The Synthesis and Crystal Structure of Camphene Menthyl Ester
【摘要】 以莰烯为原料,经Vilsmeier-Haack反应、氧化反应得到莰烯酸,再经酰氯化、酯化反应,合成了一个新化合物莰烯酸薄荷酯,其结构经X-射线单晶衍射表征.莰烯酸属三斜Triclinic晶系,P-1空间群,晶胞参数为a=0.606 59(13) nm,b=0.742 31(17) nm,c=1.206 2(3) nm,α=86.896(4)°,β=79.298(3)°,γ=76.083(3)°,V=0.518 0(2) nm3,Z=1.在莰烯酸的不对称单元中有1个莰烯酸分子,相邻的莰烯酸分子通过分子间O—H…O氢键相互连接.莰烯酸薄荷酯属正交晶系,P212121空间群,晶胞参数为a=1.192 26(13) nm,b=1.723 51(19) nm,c=1.957 7(2) nm,α=90°,β=90°,γ=90°,V=4.022 8(7) nm3,Z=1.在莰烯酸薄荷酯中存在1个莰烯酸分子和1个薄荷醇分子,莰烯酸和薄荷醇通过酯基相连.
【Abstract】 A new camphene menthyl ester is synthesized from camphene via the Vilsmeier-Haack reaction, oxidation, acylation and esterification.The structure of the product is characterized by single crystal X-ray diffraction.Compound 2 belongs to triclinic system, P-1 space group, with a=0.606 59(13) nm, b=0.742 31(17) nm, c=1.206 2(3) nm, α=86.896(4)°,β=79.298(3)°,γ=76.083(3)°,V=0.518 0(2) nm3,Z=1.The 3 D hydrogen bonding network structure is constructed via the intermolecular N—H…O hydrogen bond interactions.Compound 4 belongs to orthorhombic system, P212121 space group, with a=1.1922 6(13) nm, b=1.723 51(19) nm, c=1.957 7(2) nm, α=90°,β=90°,γ=90°,V=4.022 8(7) nm3,Z=1.In compound 4,the molecule consists of two moieties that are camphenic acid and menthol, which are linked by ester groups.
- 【文献出处】 江西师范大学学报(自然科学版) ,Journal of Jiangxi Normal University(Natural Science Edition) , 编辑部邮箱 ,2021年06期
- 【分类号】TQ455;O76
- 【下载频次】75