Synthesis and Crystal Structure of Mesityl Acetic Acid 3-Mesityl-2-oxo-1-oxaspiro[4,4]non-3-en-4-yl Ester
Synthesis and Crystal Structure of Mesityl Acetic Acid 3-Mesityl-2-oxo-1-oxaspironon-3-en-4-yl Ester作者机构:Institute of Pesticide and Environmental ToxicologyZhejiang University College of Chemical Engineering and Materials ScienceZhejiang University of Technology
出 版 物:《Chinese Journal of Structural Chemistry》 (结构化学(英文))
年 卷 期:2010年第29卷第4期
页 面:515-518页
核心收录:
学科分类:081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
基 金:Supported by the Natural Science Foundation of Zhejiang Province (2008C21029)
主 题:tetronic acids spiromesifen synthesis crystal structure
摘 要:The title compound mesityl acetic acid 3-mesityl-2-oxo-1-oxaspiro[4,4]non-3-en-4-yl ester (5, C28H32O4, Mr = 432.56), as a spiromesifen derivative, has been synthesized by the conden- sation reaction of 2,4,6-trimethylphenylacetic chloride with 4-hydroxyl-3-mesityl-1-oxa-spiro[4,4]- non-3-en-2-one (4), and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9261(7), b = 8.2802(8), c = 18.7604(18) , α = 91.576(3), β = 93.277(2), γ = 95.306(12)o, V = 1223.3(2) 3, Z = 2, Dc = 1.174 g/cm3, F(000) = 464, μ = 0.077 mm–1, S = 1.001, the final R = 0.0624 and wR = 0.1415 for 2809 observed reflections with I 2σ(I) and 290 variable parameters. The crystal analysis results show that the five-membered cyclopentyl ring displays an envelope conformation with C(25) atom at the flap position, 0.537(3) out of the mean plane formed by the other four atoms. The dihedral angles between the two benzene and furan rings are 70.0(2) and 80.67(3)o, respectively.