| Synthesis and Crystal Structure of 3,7,7-Trimethyl- 1-phenyl-4-（3-nitrophenyl）- 4,5,6,7,8,9-hexahydro-1H-pyrazolo [3,4-b]quinoline-5（6H）-one |
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| 引用本文： | 徐佳宁,屠树江,蒋虹,张金鹏,朱晓彤,王倩. Synthesis and Crystal Structure of 3,7,7-Trimethyl- 1-phenyl-4-（3-nitrophenyl）- 4,5,6,7,8,9-hexahydro-1H-pyrazolo [3,4-b]quinoline-5（6H）-one[J]. 结构化学, 2005, 24(2): 209-213 |
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| 作者姓名： | 徐佳宁 屠树江 蒋虹 张金鹏 朱晓彤 王倩 |
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| 作者单位： | Department of Chemistry，Xuzhou Normal University，Key Laboratory of Biotechnology on Medical Plant，Xuzhou，Jiangsu 221009，China |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No. 20372057)，the Natural Science Foundation of Jiangsu Province (No. BK2001142)，the Open Foundation of Key Laboratory of Organic Synthesis of Jiangsu Province，College of Chemistry and Chemical Engineering，Suzhou University (JSK 011)，the Key Lab of Biotechnology for Medicinal Plants of Jiangsu Province (01AXL 14) |
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| 摘 要： | The title compound (C25H24N4O3) has been prepared by the cyclocondensation of 5-amino-3-methyl-l-phenypyrazol, m-nitrobenaldehyde and dimedone in glycol under microwave irradiation without catalyst. The crystal structure was determined by single-crystal X-ray diffraction to be orthorhombic, space group Pbca with a=16.3331(10), b=13.8329(9), c=19.4163(12) A, V= 4386.8(5)A3, Z=8, Dc=1.298g/cm^3,μ=0.087 mm^-1, F(000)=1808, Mr=428.48, the final R=0.0519 and wR=0.1019. X-ray analysis revealed that the pyridine ring is of boat conformation and the six-membered ring fused with it adopts twist boat conformation.
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| 关 键 词： | 晶体结构 3,7,7-三甲基色氨酸-1-苯基-4-（3-硝基苯）-4,5,6,7,8,9-六氢-1H-吡唑[3,4-b]喹啉-5（6H）-酮 吡唑化合物 喹啉化合物 化学结构 |
Synthesis and Crystal Structure of 3,7,7-Trimethyl-1-phenyl-4-(3-nitrophenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-5(6H)-one |
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| XUJia-Ning TUShu-Jiang JIANGHong ZHANGJin-Peng ZHUXiao-Tong WANGQian. Synthesis and Crystal Structure of 3,7,7-Trimethyl-1-phenyl-4-(3-nitrophenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-5(6H)-one[J]. Chinese Journal of Structural Chemistry, 2005, 24(2): 209-213 |
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| Authors: | XUJia-Ning TUShu-Jiang JIANGHong ZHANGJin-Peng ZHUXiao-Tong WANGQian |
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| Affiliation: | Department of Chemistry, Xuzhou Normal University,Key Laboratory of Biotechnology on Medical Plant,Xuzhou,Jiangsu 221009,China |
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| Abstract: | The title compound (C25H24N4O3) has been prepared by the cyclocondensation of 5-amino-3-methyl-1-phenypyrazol, m-nitrobenaldehyde and dimedone in glycol under microwave irradiation without catalyst. The crystal structure was determined by single-crystal X-ray diffraction to be orthorhombic, space group Pbca with a = 16.3331(10), b = 13.8329(9), c = 19.4163(12) (A), V= 4386.8(5) (A)3, Z = 8, Dc = 1.298 g/cm3,μ = 0.087 mm-1, F(000) = 1808, Mr = 428.48, the final R =0.0519 and wR = 0.1019. X-ray analysis revealed that the pyridine ring is of boat conformation and the six-membered ring fused with it adopts twist boat conformation. |
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| Keywords: | pyrazole quinoline synthesis microwave irradiation crystal structure |
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