4-(2,6-Dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one | 183382-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(2,6-Dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
• 英文别名: 4-(2,6-dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
• CAS: 183382-26-5
• 化学式: C₂₆H₁₄Cl₂N₄OS
• 分子量: 501.395
• InChiKey: RJRGVXGVFQPYDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2,6-Dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one 在 五氯化磷 、 三氯氧磷 作用下， 以40%的产率得到6-Chloro-4-(2,6-dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
  参考文献：
  名称：

  Synthesis of pyrimido[4′,5′:4,5]thieno[2,3-c]-pyridazine derivatives

  摘要：

  Convenient syntheses of 3,4-diphenyl-8-oxo-6-substituted-5,6,7,8-tetrahydropyrimido[4',5:4,5]thieno[2,3-c]pyridazines (4a-g), 3,4-diphenyl-8-oxo-6-substituted-7,8-dihydropyrimido [4',5':4,5]thieno [2,3-c]pyridazines (5a-g), 8-chloro-3,4-diphenyl-6-substituted-pyrimido[4',5':4,5] thieno [2,3-c]pyridazines (6a-g), and 3,4,6-triphenyl-8-substituted-pyrimido[4',5',4,5]thieno[2,3-c]pyridazines (7a-f) from 4-cyano-5,6-diphenylpyridazine-3(2H)-thione (1) via 5-amino-3,4-diphenylthieno [2,3-c] pyridazine-6-carboxamide (3) are reported.

  DOI：

  10.1007/bf00807079
• 作为产物：
  描述：

  5-amino-3,4-diphenylthieno<2,3-c>pyridazine-6-carboxamide 在 对甲苯磺酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 生成 4-(2,6-Dichlorophenyl)-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
  参考文献：
  名称：

  Synthesis of pyrimido[4′,5′:4,5]thieno[2,3-c]-pyridazine derivatives

  摘要：

  Convenient syntheses of 3,4-diphenyl-8-oxo-6-substituted-5,6,7,8-tetrahydropyrimido[4',5:4,5]thieno[2,3-c]pyridazines (4a-g), 3,4-diphenyl-8-oxo-6-substituted-7,8-dihydropyrimido [4',5':4,5]thieno [2,3-c]pyridazines (5a-g), 8-chloro-3,4-diphenyl-6-substituted-pyrimido[4',5':4,5] thieno [2,3-c]pyridazines (6a-g), and 3,4,6-triphenyl-8-substituted-pyrimido[4',5',4,5]thieno[2,3-c]pyridazines (7a-f) from 4-cyano-5,6-diphenylpyridazine-3(2H)-thione (1) via 5-amino-3,4-diphenylthieno [2,3-c] pyridazine-6-carboxamide (3) are reported.

  DOI：

  10.1007/bf00807079

文献信息

• Synthesis of pyrimido[4′,5′:4,5]thieno[2,3-c]-pyridazine derivatives
  作者：J. M. Quintela、M. C. Veiga、R. Alvarez-Sarandés、C. Peinador

  DOI：10.1007/bf00807079

  日期：1996.5

  Convenient syntheses of 3,4-diphenyl-8-oxo-6-substituted-5,6,7,8-tetrahydropyrimido[4',5:4,5]thieno[2,3-c]pyridazines (4a-g), 3,4-diphenyl-8-oxo-6-substituted-7,8-dihydropyrimido [4',5':4,5]thieno [2,3-c]pyridazines (5a-g), 8-chloro-3,4-diphenyl-6-substituted-pyrimido[4',5':4,5] thieno [2,3-c]pyridazines (6a-g), and 3,4,6-triphenyl-8-substituted-pyrimido[4',5',4,5]thieno[2,3-c]pyridazines (7a-f) from 4-cyano-5,6-diphenylpyridazine-3(2H)-thione (1) via 5-amino-3,4-diphenylthieno [2,3-c] pyridazine-6-carboxamide (3) are reported.