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Synthesis and Crystal Structure of 2-Oxo-3-phenyl-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate |
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| Authors: | WANG Zong-Chen XU Bing-Rong CHENG Jing-Li YU Chuan-Ming ZHAO Jin-Hao |
| Institution: | 1. Ministry of Agriculture Key Laboratory of Molecular Biology of Crop Pathogens and Insects, Institute of Pesticide and Environmental Toxicology, Zhejiang University, Hangzhou 310029, China／College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310032, China 2. Ministry of Agriculture Key Laboratory of Molecular Biology of Crop Pathogens and Insects, Institute of Pesticide and Environmental Toxicology, Zhejiang University, Hangzhou 310029, China 3. College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310032, China |
| Abstract: | The title compound 2-oxo-3-phenyl-1-oxaspiro4.5]dec-3-en-4-yl 4-chloro-benzoate 6 (C22H19ClO4, Mr = 382.82) has been synthesized by the condensation reaction of 4-hydroxy-3-phenyl-1-oxaspiro4.5]dec-3-en-2-one 5 with 4-chlorobenzoyl chloride, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 10.6749(11), b = 6.0573(7), c = 29.680(2) , β = 94.073(3)o, V = 1914.3(3) 3, Z = 4, Dc = 1.328 g/cm3, F(000) = 800, μ = 0.224 mm–1, S = 1.003, the final R = 0.0605 and wR = 0.1500 for 1828 observed reflections with I > 2σ(I) and 244 variable parameters. The crystal analysis shows that the molecular structure of the title compound has one planar furan ring, one chair conformation cyclohexane ring and two benzene rings. The furan and cyclohexane rings adopt whorl conformations. |
| Keywords: | spiroyclic tetronic acid spirotetramat synthesis crystal structure |
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