[(CN)PYDZ] | 1056029-19-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 英文名称: [(CN)PYDZ]
• 英文别名: 4-[(S)-(6-chloropyridazin-3-yl)oxy-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline
• CAS: 1056029-19-6
• 化学式: C₂₃H₂₃ClN₄O
• 分子量: 406.915
• InChiKey: FLHCOKQCXCWNQZ-QZKYGZFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  辛可宁 、 3,6-二氯哒嗪 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到[(CN)PYDZ]
  参考文献：
  名称：

  Facile Access to Mono-Cinchona Alkaloid-Derived Ligands

  摘要：

  Two facile accesses to mono-cinchona alkaloid-derived ligands, by conventional heating conditions and solvent-free microwave irradiation, are described. 1,4-Dichlorophthalazine (PHAL) or 3,6-dichloropyridazine (PYDZ) reacted with quinine (QN), cinchonine (CN), or cinchonidine (CND) by using CaH2 as acid-bonding reagent in DMF at 90-100C to provide mono-cinchona alkaloid-derived ligands 2a-f (87-95%) in 1.5h. However, the coupling reactions were performed under solvent-free microwave conditions to yield 2a-f (64-89%) within 15min.

  DOI：

  10.1080/00397910802323114

文献信息

• Facile Access to Mono-Cinchona Alkaloid-Derived Ligands
  作者：Hai-Bo Wang、Xiao-Li Sun、Ping-An Wang、Quan-Jun Wang、Peng-Juan Nan、Lin-Lin Jing

  DOI：10.1080/00397910802323114

  日期：2008.11.3

  Two facile accesses to mono-cinchona alkaloid-derived ligands, by conventional heating conditions and solvent-free microwave irradiation, are described. 1,4-Dichlorophthalazine (PHAL) or 3,6-dichloropyridazine (PYDZ) reacted with quinine (QN), cinchonine (CN), or cinchonidine (CND) by using CaH2 as acid-bonding reagent in DMF at 90-100C to provide mono-cinchona alkaloid-derived ligands 2a-f (87-95%) in 1.5h. However, the coupling reactions were performed under solvent-free microwave conditions to yield 2a-f (64-89%) within 15min.