2-N-ethoxyphthalimido-3-(4-N,N-dimethylbenzylidene)-6,6-diphenyl-3,3a-dihydro-2H-imidazo[2,1-b]pyrazolo[3,4-d][1,3]thiazol-7(6H)-one | 1245633-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-N-ethoxyphthalimido-3-(4-N,N-dimethylbenzylidene)-6,6-diphenyl-3,3a-dihydro-2H-imidazo[2,1-b]pyrazolo[3,4-d][1,3]thiazol-7(6H)-one
• 英文别名: 2-[2-[5-[4-(Dimethylamino)phenyl]-11-oxo-10,10-diphenyl-7-thia-1,3,4,9-tetrazatricyclo[6.3.0.02,6]undeca-2,8-dien-4-yl]ethoxy]isoindole-1,3-dione；2-[2-[5-[4-(dimethylamino)phenyl]-11-oxo-10,10-diphenyl-7-thia-1,3,4,9-tetrazatricyclo[6.3.0.02,6]undeca-2,8-dien-4-yl]ethoxy]isoindole-1,3-dione
• CAS: 1245633-38-8
• 化学式: C₃₆H₃₀N₆O₄S
• 分子量: 642.738
• InChiKey: CIFVINMKNZLHMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  47
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5,5-二苯基-2-硫代海因 在 吡啶 、 sodium acetate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 40.0h， 生成 2-N-ethoxyphthalimido-3-(4-N,N-dimethylbenzylidene)-6,6-diphenyl-3,3a-dihydro-2H-imidazo[2,1-b]pyrazolo[3,4-d][1,3]thiazol-7(6H)-one
  参考文献：
  名称：

  Synthesis characterization and biological evaluation of some alkoxyphthalimide derivatives of 3-(4-substituted phenyl)-6,6-diphenyl-3,3a-dihydro-2H-imidazo[2,1-b]pyrazolo[3,4-d][1,3]thiazol-7(6H)-one

  摘要：

  A series of 2-N-ethoxyphthalimido 3-(4-substitutedphenyl)-6,6-diphenyl-3,3a-dihydro-2H-imidazo[2,1-b]pyrazolo[3,4-d][1,3]thiazol-7(6H)-one(7a-e) and 4-(4-substituted phenyl)-2-(N-ethoxyphthalimido amino)-7,7-diphenylimidazo[2',1':2,3][1,3]thiazolo[4,5-d] pyrimidin-8(7H)-one (9a-e) have been designed and synthesized starting from thiohydentoin (1). The structure of all synthesized compounds has been established by IR, H-1 NMR, C-13 NMR and mass studies. These compounds have been screened for antimicrobial activities in order to evaluate the possibility of the derivatives to be used as potential chemotherapeutic agents.

  DOI：

  10.1007/s00044-010-9392-4