N-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine | 1333880-80-0

• 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: N-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
• 英文别名: N-ethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine
• CAS: 1333880-80-0
• 化学式: C₉H₁₄N₄
• mdl: MFCD19686211
• 分子量: 178.237
• InChiKey: LBHRMKQRUZNCFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 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 氢溴酸 、 sodium methylate 、 lithium chloride 作用下， 以 甲醇 、 水 为溶剂， 反应 12.17h， 生成 N-ethyl-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

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.