ethyl 3-(methylamino)-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate | 1474036-06-0

• 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: ethyl 3-(methylamino)-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate
• 英文别名: Ethyl 3-(methylamino)-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate；ethyl 3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
• CAS: 1474036-06-0
• 化学式: C₁₁H₁₆N₄O₂
• 分子量: 236.274
• InChiKey: FGUHMDJWBUARAD-UHFFFAOYSA-N

物化性质

• 沸点：
  458.5±45.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-(methylamino)-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate 在 氢溴酸 、 sodium methylate 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 生成 N-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
  参考文献：
  名称：

  5,6,7,8-Tetrahydropyrido[4,3-c]pyridazine: A Lead-Oriented Scaffold with Two Diversity Points

  摘要：

  An approach to the derivatives of 5,6,7,8-tetrahydropyrido[4,3-c]pyridazine, a lead-oriented scaffold with two diversity points, was developed. The method included five steps starting from the readily available 4-piperidone derivatives and allowed for the preparation of the target compounds in 32-35% overall yields. The key step of the sequence included one-pot solvent-free reaction of the corresponding 4-piperidone derivative, glyoxylic acid, and hydrazine.

  DOI：

  10.1055/s-0033-1339325
• 作为产物：
  描述：

  ethyl 3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate 在 三乙胺 、 lithium chloride 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 3.17h， 生成 ethyl 3-(methylamino)-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate
  参考文献：
  名称：

  5,6,7,8-Tetrahydropyrido[4,3-c]pyridazine: A Lead-Oriented Scaffold with Two Diversity Points

  摘要：

  An approach to the derivatives of 5,6,7,8-tetrahydropyrido[4,3-c]pyridazine, a lead-oriented scaffold with two diversity points, was developed. The method included five steps starting from the readily available 4-piperidone derivatives and allowed for the preparation of the target compounds in 32-35% overall yields. The key step of the sequence included one-pot solvent-free reaction of the corresponding 4-piperidone derivative, glyoxylic acid, and hydrazine.

  DOI：

  10.1055/s-0033-1339325

文献信息

• 5,6,7,8-Tetrahydropyrido[4,3-c]pyridazine: A Lead-Oriented Scaffold with Two Diversity Points
  作者：Oleksandr Grygorenko、Alexander Borisov、Volodymyr Voloshchuk、Maxim Nechayev

  DOI：10.1055/s-0033-1339325

  日期：——

  An approach to the derivatives of 5,6,7,8-tetrahydropyrido[4,3-c]pyridazine, a lead-oriented scaffold with two diversity points, was developed. The method included five steps starting from the readily available 4-piperidone derivatives and allowed for the preparation of the target compounds in 32-35% overall yields. The key step of the sequence included one-pot solvent-free reaction of the corresponding 4-piperidone derivative, glyoxylic acid, and hydrazine.