2-(3-Chlorophenyl)-3-(diphenylphosphorylmethyl)pyridine | 1418758-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(3-Chlorophenyl)-3-(diphenylphosphorylmethyl)pyridine
• 英文别名: 2-(3-chlorophenyl)-3-(diphenylphosphorylmethyl)pyridine
• CAS: 1418758-48-1
• 化学式: C₂₄H₁₉ClNOP
• 分子量: 403.848
• InChiKey: SASXRDSCEYUTRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯-3-吡啶甲醇 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 、 三乙胺 作用下， 以 水 、 甲苯 、 乙腈 为溶剂， 反应 20.75h， 生成 2-(3-Chlorophenyl)-3-(diphenylphosphorylmethyl)pyridine
  参考文献：
  名称：

  Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5

  摘要：

  Diphenylphosphinic amides and diphenylphosphine oxides have been synthesized and tested as inhibitors of the Kv1.5 potassium ion channel as a possible treatment for atrial fibrillation. In vitro structure-activity relationships are discussed and several compounds with Kv1.5 IC50 values of <0.5 mu M were discovered. Selectivity over the ventricular IKs current was monitored and selective compounds were found. Results from a rabbit PD-model are included. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.098