2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propan-1-ol | 918476-79-6

• 英文名称: 2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propan-1-ol
• CAS: 918476-79-6
• 化学式: C₁₄H₄₈B₃₀O₄
• 分子量: 604.863
• InChiKey: SGRARHWABYGMLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  chromium(VI) oxide 、 2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propan-1-ol 以 硫酸 、 丙酮 为溶剂， 以96%的产率得到2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propanoic acid
  参考文献：
  名称：

  Tricarboranyl Pentaerythritol-Based Building Block

  摘要：

  A new tricarborane building block based on pentaerythritol was prepared for applications in boron neutron capture therapy (BNCT). Its X-ray single-crystal structure revealed a high degree of steric congestion. To enable the attachment of the building block to other moieties, a succinimidyl linker has been introduced at the focal point, and a generation-2 hexacarborane-containing dendron carrying 60 boron atoms has been prepared using a 2,2-bis(hydroxymethyl)-propionic acid core.

  DOI：

  10.1021/ic061297q
• 作为产物：
  描述：

  2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]-2-(tert-butyldimethylsilyloxymethyl)propane 在 DOWEX 50WX₂-200(H) 作用下， 以 甲醇 为溶剂， 以98%的产率得到2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propan-1-ol
  参考文献：
  名称：

  Tricarboranyl Pentaerythritol-Based Building Block

  摘要：

  A new tricarborane building block based on pentaerythritol was prepared for applications in boron neutron capture therapy (BNCT). Its X-ray single-crystal structure revealed a high degree of steric congestion. To enable the attachment of the building block to other moieties, a succinimidyl linker has been introduced at the focal point, and a generation-2 hexacarborane-containing dendron carrying 60 boron atoms has been prepared using a 2,2-bis(hydroxymethyl)-propionic acid core.

  DOI：

  10.1021/ic061297q