| 1383726-28-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1383726-28-0
• 化学式: C₂₃H₁₈BrNO₄
• 分子量: 452.304
• InChiKey: JLLYGZURMCTDKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-(4-Bromonaphthalen-1-yl)-2-methylbut-3-yn-2-ol 在 甲醇 、 四(三苯基膦)钯 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of phosphorylated pyridine-based ligands for lanthanide complexation. Part 1

  摘要：

  Several new ligands constructed from a pyridine-ethynylnaphthalene platform have been engineered with a chelating pocket comprising bisdimethylaminocarboxylate/phosphonate or bisdimethylaminophosphonate units. Selective hydrolysis provides pockets with four to six anionic carboxylate or phosphate functions suitable for lanthanide complexation. Linkage at the opposite side of a flexible hanging arm either via a triple bond or through an amide tether offers the possibility of further use of these ligands for bio-conjugation. Protocols to link the dedicated pockets via hydrophilic flexible chain to Biotin are also detailed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.105