[6-(Diethylamino)-9-[2-(piperidin-1-ylmethyl)phenyl]xanthen-3-ylidene]-diethylazanium | 1416785-64-2

• 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-(Diethylamino)-9-[2-(piperidin-1-ylmethyl)phenyl]xanthen-3-ylidene]-diethylazanium
• 英文别名: [6-(diethylamino)-9-[2-(piperidin-1-ylmethyl)phenyl]xanthen-3-ylidene]-diethylazanium
• CAS: 1416785-64-2
• 化学式: C₃₃H₄₂N₃O
• 分子量: 496.716
• InChiKey: MZTBVZPKDGSCPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  18.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  rhodamine B methyl ester 在 lithium aluminium tetrahydride 、 氯磷酸二乙酯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 [6-(Diethylamino)-9-[2-(piperidin-1-ylmethyl)phenyl]xanthen-3-ylidene]-diethylazanium
  参考文献：
  名称：

  A rhodamine-deoxylactam based sensor for chromo-fluorogenic detection of nerve agent simulant

  摘要：

  N-(rhodamine B)-deoxylactam-5-amino-1-pentanol (dRB-APOH) was designed and prepared as the chromo-fluorogenic sensor for detection of a nerve agent simulant via analyte triggered tandem phosphorylation and opening of the intramolecular deoxylactam. The successful detection of diethyl chlorophosphate suggests the utility of rhodamine-deoxylactams as the chromo-fluorogenic signal reporting platform for design of sensors targeting reactive chemical species via various chemistries. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.077

文献信息

• A rhodamine-deoxylactam based sensor for chromo-fluorogenic detection of nerve agent simulant
  作者：Zhisheng Wu、Xuanjun Wu、Yuhui Yang、Ting-bin Wen、Shoufa Han

  DOI：10.1016/j.bmcl.2012.08.077

  日期：2012.10

  N-(rhodamine B)-deoxylactam-5-amino-1-pentanol (dRB-APOH) was designed and prepared as the chromo-fluorogenic sensor for detection of a nerve agent simulant via analyte triggered tandem phosphorylation and opening of the intramolecular deoxylactam. The successful detection of diethyl chlorophosphate suggests the utility of rhodamine-deoxylactams as the chromo-fluorogenic signal reporting platform for design of sensors targeting reactive chemical species via various chemistries. (c) 2012 Elsevier Ltd. All rights reserved.