ethyl 3-Amino-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate | 1474036-13-9

• 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: ethyl 3-Amino-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate
• 英文别名: Ethyl 3-amino-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate；ethyl 3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
• CAS: 1474036-13-9
• 化学式: C₁₀H₁₄N₄O₂
• mdl: MFCD26407209
• 分子量: 222.247
• InChiKey: XNIBDJVAWIHXIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-Amino-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 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：

  6-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪 在 氢气 、 一水合肼 、 lithium chloride 作用下， 以 乙醇 、 水 为溶剂， 45.0~120.0 ℃ 、100.0 kPa 条件下， 反应 53.0h， 生成 ethyl 3-Amino-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