1-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-4-chlorophthalazine | 85236-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-4-chlorophthalazine
• 英文别名: 1-[3,5-bis[(N-pyrrolidinyl)methyl]-4-hydroxyanilino]-4-chlorophthalazine；4-[(4-Chlorophthalazin-1-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol；4-[(4-chlorophthalazin-1-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
• CAS: 85236-53-9
• 化学式: C₂₄H₂₈ClN₅O
• 分子量: 437.972
• InChiKey: LSEQQJKCKYXGPR-UHFFFAOYSA-N

物化性质

• 沸点：
  597.4±50.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  sodium methylate 、 1-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-4-chlorophthalazine 以 甲醇 为溶剂， 反应 18.0h， 生成 1-<3,4-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-4-methoxyphthalazine
  参考文献：
  名称：

  Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 1. Heteroarylamine derivatives

  摘要：

  Twenty-four structural derivatives of the antiarrhythmic drug changrolin were synthesized and tested for antiarrhythmic and parasympatholytic activities. It was found that while the bis(pyrrolidinylmethyl)phenol pattern of changrolin appeared to be optimal in this series, a wide latitude existed for the heteroaryl substituent for maintaining good antiarrhythmic activity. Further, the antiarrhythmic and parasympatholytic activities tended to exhibit parallel changes.

  DOI：

  10.1021/jm00360a005
• 作为产物：
  描述：

  1,4-二氯酞嗪 以 乙醇 为溶剂， 反应 5.0h， 生成 1-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-4-chlorophthalazine
  参考文献：
  名称：

  Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 1. Heteroarylamine derivatives

  摘要：

  Twenty-four structural derivatives of the antiarrhythmic drug changrolin were synthesized and tested for antiarrhythmic and parasympatholytic activities. It was found that while the bis(pyrrolidinylmethyl)phenol pattern of changrolin appeared to be optimal in this series, a wide latitude existed for the heteroaryl substituent for maintaining good antiarrhythmic activity. Further, the antiarrhythmic and parasympatholytic activities tended to exhibit parallel changes.

  DOI：

  10.1021/jm00360a005

文献信息

• Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 1. Heteroarylamine derivatives
  作者：David M. Stout、W. L. Matier、Cynthia Barcelon-Yang、Robert D. Reynolds、Barry S. Brown

  DOI：10.1021/jm00360a005

  日期：1983.6

  Twenty-four structural derivatives of the antiarrhythmic drug changrolin were synthesized and tested for antiarrhythmic and parasympatholytic activities. It was found that while the bis(pyrrolidinylmethyl)phenol pattern of changrolin appeared to be optimal in this series, a wide latitude existed for the heteroaryl substituent for maintaining good antiarrhythmic activity. Further, the antiarrhythmic and parasympatholytic activities tended to exhibit parallel changes.