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4-（4-氯苯基）-7,7-二甲基-7,8-二氢-4H-1-苯并吡喃-2,5（3H,6H）-二酮

4-(4-Chloro-phen-yl)-7,7-dimethyl-7,8-dihydro-4H-1-benzopyran-2,5(3H,6H)-dione.

作者信息

Shi Hao

机构信息

The College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 4;66(Pt 1):o56. doi: 10.1107/S1600536809051320.

DOI:10.1107/S1600536809051320
PMID:21580158
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980257/
Abstract

The title compound, C(17)H(17)ClO(3), has been synthesized by the reaction of p-chloro-benzaldehyde, isopropyl-idene malonate and 5,5-dimethyl-cyclo-hexane-1,3-dione with triethyl-benzyl-ammonium chloride in water as a green solvent. The six membered pyran-one ring of the hexa-hydro-coumarin system has a screw-boat conformation while the dimethyl-cyclo-hexenone system has a distorted envelope conformation. The dihedral angle between the least-squares planes of the coumarin ring system and the benzene ring is 85.64 (9)°.

摘要

标题化合物C(17)H(17)ClO(3)是通过对氯苯甲醛、丙二酸亚异丙酯和5,5-二甲基环己烷-1,3-二酮在作为绿色溶剂的水中与三乙基苄基氯化铵反应合成的。六氢香豆素体系的六元吡喃酮环具有船式构象，而二甲基环己烯酮体系具有扭曲的信封式构象。香豆素环系和苯环的最小二乘平面之间的二面角为85.64 (9)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/333d/2980257/62ba5805804c/e-66-00o56-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/333d/2980257/aad92aa27443/e-66-00o56-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/333d/2980257/62ba5805804c/e-66-00o56-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/333d/2980257/aad92aa27443/e-66-00o56-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/333d/2980257/62ba5805804c/e-66-00o56-fig2.jpg

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