2-(((tert-butyldimethylsilyl)oxy)methyl)-2-((((trifluoromethyl)sulfonyl)oxy)methyl)propane-1,3-diyl bis(trifluoromethanesulfonate) | 1374877-16-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-(((tert-butyldimethylsilyl)oxy)methyl)-2-((((trifluoromethyl)sulfonyl)oxy)methyl)propane-1,3-diyl bis(trifluoromethanesulfonate)
• CAS: 1374877-16-3
• 化学式: C₁₄H₂₃F₉O₁₀S₃Si
• 分子量: 646.6
• InChiKey: ZYJRRTILVQRTCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  139.34
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  9–mercapto–1,2–dicarba–closo–dodecaborane 、 2-(((tert-butyldimethylsilyl)oxy)methyl)-2-((((trifluoromethyl)sulfonyl)oxy)methyl)propane-1,3-diyl bis(trifluoromethanesulfonate) 在 NaH 作用下， 以 1,4-二氧六环 为溶剂， 以70%的产率得到1-(tert-butyldimethylsilyloxy)-2,2,2-tris[(1,2-dicarba-close-dodecaborane(12)-9-ylthio)methyl]ethane
  参考文献：
  名称：

  From ortho-carbaborane-9-thiol towards new building blocks

  摘要：

  The potential of 1,2-dicarba-closo-dodecaborane(12)-9-thiol, 9-HS-1,2-closo-C2B10H11, for the design of novel building blocks is highlighted by two examples envisioned for incorporation into tumor-selective peptides for boron neutron capture therapy (BNCT). By employing a t-Bu protection strategy the synthesis of a bis-galactosyl-substituted ortho-carbaborane carboxylic acid was elaborated, and the procedure is suggested as a general approach towards carbaboranes with three substituents. Furthermore, a simple route to a tris(ortho-carbaborane) building block starting from pentaerythritol is illustrated. All compounds were synthesized in moderate to high yields and identified by H-1, B-11, and C-13 NMR spectroscopy, IR spectroscopy, mass spectrometry, and in one case by X-ray crystallography. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.003