[6-(Dimethylamino)-9-[2-(20,23,28,31-tetraoxa-1,3,6,9,12,15,17-heptazatetracyclo[15.8.8.02,6.012,16]tritriaconta-2,4,13,15-tetraen-9-yl)pyrimidin-5-yl]xanthen-3-ylidene]-dimethylazanium;chloride | 1214885-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [6-(Dimethylamino)-9-[2-(20,23,28,31-tetraoxa-1,3,6,9,12,15,17-heptazatetracyclo[15.8.8.02,6.012,16]tritriaconta-2,4,13,15-tetraen-9-yl)pyrimidin-5-yl]xanthen-3-ylidene]-dimethylazanium;chloride
• CAS: 1214885-19-4
• 化学式: C₄₃H₅₆N₁₁O₅*Cl
• 分子量: 842.441
• InChiKey: GUJFICOBZJGTRT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  60
• 可旋转键数：
  3
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N,N'-(2,2'-(2,2'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(1H-imidazole-1,2-diyl))bis(ethane-1,2-diyl))-5-bromopyrimidin-2-amine 、 [6-(Dimethylamino)-9-(trifluoromethylsulfonyloxy)xanthen-3-ylidene]-dimethylazanium;trifluoromethanesulfonate 在 叔丁基锂 、 三异丙氧基氯化钛 作用下， 以 四氢呋喃 、 正戊烷 、 正己烷 为溶剂， 反应 3.75h， 以82%的产率得到[6-(Dimethylamino)-9-[2-(20,23,28,31-tetraoxa-1,3,6,9,12,15,17-heptazatetracyclo[15.8.8.02,6.012,16]tritriaconta-2,4,13,15-tetraen-9-yl)pyrimidin-5-yl]xanthen-3-ylidene]-dimethylazanium;chloride
  参考文献：
  名称：

  Synthesis of a Sensitive and Selective Potassium-Sensing Fluoroionophore

  摘要：

  An efficient synthesis Is reported that delivers in 5 steps and 52% overall yield a new structurally simplified fluorescent K+ sensor with Improved K+ sensitivity and selectivity over existing K+ sensors. The synthesis procedure utilizes a new template-directed oxidative C-N bond-forming macrocyclization reaction and reports new approaches to Pd(0), Sandmeyer-like and metal-free aminoarylations, as well as organotitanlum additions to vinylogous sulfonates.

  DOI：

  10.1021/ol902836c

文献信息

• Synthesis of a Sensitive and Selective Potassium-Sensing Fluoroionophore
  作者：Richard D. Carpenter、A. S. Verkman

  DOI：10.1021/ol902836c

  日期：2010.3.19

  An efficient synthesis Is reported that delivers in 5 steps and 52% overall yield a new structurally simplified fluorescent K+ sensor with Improved K+ sensitivity and selectivity over existing K+ sensors. The synthesis procedure utilizes a new template-directed oxidative C-N bond-forming macrocyclization reaction and reports new approaches to Pd(0), Sandmeyer-like and metal-free aminoarylations, as well as organotitanlum additions to vinylogous sulfonates.