4-Chloro-2,6,7-trimethyl-1,5-dioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine | 219544-16-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并[3，4-d]哒嗪
• 英文名称: 4-Chloro-2,6,7-trimethyl-1,5-dioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine
• 英文别名: 4-Chloro-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione
• CAS: 219544-16-8
• 化学式: C₁₀H₁₀ClN₃O₂
• 分子量: 239.661
• InChiKey: MVCADQMMEVPPSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙二胺 、 4-Chloro-2,6,7-trimethyl-1,5-dioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine 反应 22.0h， 以90%的产率得到4-(2-Dimethylamino-ethylamino)-2,6,7-trimethyl-2,6-dihydro-pyrido[3,4-d]pyridazine-1,5-dione
  参考文献：
  名称：

  Investigations on the synthesis and properties of 4-aminosubstituted 2,6,7-trimethyl-1,5-dioxo-1,2,5,6-tetrahydropyrido[3,4-d]pyridazines

  摘要：

  Synthesis of 4-aminosubstituted 2,6,7-trimethyl-1,5-dioxo-1,2,5,6-tetrahydropyrido [3,4-d] pyridazines 2-11 and the results of the preliminary pharmacological screening of the selected compounds 2, 4, 5, 10, 11 are described in this paper. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00051-2
• 作为产物：
  描述：

  2,6,7-Trimethyl-1,4,5-trioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine 在 三氯氧磷 作用下， 反应 6.0h， 以50%的产率得到4-Chloro-2,6,7-trimethyl-1,5-dioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine
  参考文献：
  名称：

  Investigations on the synthesis and properties of 4-aminosubstituted 2,6,7-trimethyl-1,5-dioxo-1,2,5,6-tetrahydropyrido[3,4-d]pyridazines

  摘要：

  Synthesis of 4-aminosubstituted 2,6,7-trimethyl-1,5-dioxo-1,2,5,6-tetrahydropyrido [3,4-d] pyridazines 2-11 and the results of the preliminary pharmacological screening of the selected compounds 2, 4, 5, 10, 11 are described in this paper. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00051-2