Synthesis and Crystal Structure of 4-(2- Chlorophenyl)-5-cyano-3-methyl-6-oxo-1- phenyl-4,5,6,7-tetrahydropyrazolo[3,4-b] Pyridine under Microwave Irradiation  

作　　者：朱松磊  屠树江  李团结  邹翔  章晓镜  纪顺俊  张勇  

机构地区：[1]Department of Chemistry, Xuzhou Normal University,Key Laboratory of Biotechnology on Medical Plant, Xuzhou, Jiangsu 221116, China,Department of Chemistry, Xuzhou Medical College, Xuzhou, Jiangsu 221002, China [2]Department of Chemistry, Xuzhou Normal University,Key Laboratory of Biotechnology on Medical Plant, Xuzhou, Jiangsu 221116, China [3]College of Chemistry and Chemical Engineering, Key Lab. of Org. Synth of Jiangsu Province, Suzhou University, Suzhou, Jiangsu 215006, China

出　　处：《Chinese Journal of Structural Chemistry》2004年第11期1222-1225,共4页结构化学（英文）

基　　金：This work was supported by the NNSFC (No. 20372057); the NSF 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 (No. S

摘　　要：The title compound (C20H15ClN4O, Mr = 362.81) was synthesized by the reaction of ethyl 2-cyano-3-(2-chlorophenyl)-1-acylate with 5-amino-3-methyl-1-phenylpyrazole under microwave irradiation and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.8192(19), b = 15.976(3), c = 13.094(3) ? = 103.074(4), V = 1797.1(7) ?, Z = 4, Dc = 1.341 g/cm3, = 0.229 mm-1, F(000) = 752, R = 0.0632 and wR = 0.1278. X-ray analysis reveals that the pyridine ring adopts an envelope conformation. The dihedral angle between the pyrazole and pyridine planes is 2.19, and inter- molecular hydrogen bonds are also observed in the molecule.

关 键 词：AMINOPYRAZOLE PYRAZOLOPYRIDINE crystal structure microwave irradiation 

分 类 号：O626.41[理学—有机化学]