3,8-dichloro-1,6-dimethyldiimidazo<1,5-a:1',5'-d>pyrazine-5,10-dione | 145575-89-9

• 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: 3,8-dichloro-1,6-dimethyldiimidazo<1,5-a:1',5'-d>pyrazine-5,10-dione
• CAS: 145575-89-9
• 化学式: C₁₀H₆Cl₂N₄O₂
• 分子量: 285.089
• InChiKey: WGTMSYLKEWNSFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  68.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3,8-dichloro-1,6-dimethyldiimidazo<1,5-a:1',5'-d>pyrazine-5,10-dione 、 对乙氧基苯胺 以 苯 为溶剂， 反应 1.0h， 生成 3,8-bis(p-ethoxyphenylamino)-1,6-dimethyldiimidazo<1,5-a:1',5'-d>pyrazine-5,10-dione
  参考文献：
  名称：

  Synthesis and structural evidence for new diimidazo-[1,5-a:1′,5′-d] pyrazinediones

  摘要：

  The synthesis of derivatives of 5H, 10H-diimidazo [1,5-a: 1',5'-d] pyrazine-5,10-dione is described. The mechanism of the reaction is discussed and the chemical, spectral and X-ray data giving the evidence of the structure of these compounds are presented. X-ray studies were carried out on compound 6c (C24H22N6O2) with a = 9.250(3), b = 11.879(3), c = 10.250(3), Z = 2 and space group P2(1)/a. The structure was solved using direct methods and refined by weighted full-matrix least squares. The refinement, based on 990 reflections with I greater-than-or-equal-to 2.5 sigma(I), converged to a final R of 0.041 and R(w) = 0.036.

  DOI：

  10.1007/bf01160983
• 作为产物：
  描述：

  2-bromo-4-methylimidazole-5-carboxylic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 24.0h， 生成 3,8-dichloro-1,6-dimethyldiimidazo<1,5-a:1',5'-d>pyrazine-5,10-dione
  参考文献：
  名称：

  Synthesis and structural evidence for new diimidazo-[1,5-a:1′,5′-d] pyrazinediones

  摘要：

  The synthesis of derivatives of 5H, 10H-diimidazo [1,5-a: 1',5'-d] pyrazine-5,10-dione is described. The mechanism of the reaction is discussed and the chemical, spectral and X-ray data giving the evidence of the structure of these compounds are presented. X-ray studies were carried out on compound 6c (C24H22N6O2) with a = 9.250(3), b = 11.879(3), c = 10.250(3), Z = 2 and space group P2(1)/a. The structure was solved using direct methods and refined by weighted full-matrix least squares. The refinement, based on 990 reflections with I greater-than-or-equal-to 2.5 sigma(I), converged to a final R of 0.041 and R(w) = 0.036.

  DOI：

  10.1007/bf01160983