2,2,2-trichloroethyl 3-([2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propoxy]carbonyl)propionate | 918476-83-2

• 英文名称: 2,2,2-trichloroethyl 3-([2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propoxy]carbonyl)propionate
• CAS: 918476-83-2
• 化学式: C₂₀H₅₃B₃₀Cl₃O₇
• 分子量: 836.326
• InChiKey: QMLLKKWOASJPMF-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  2,2,2-trichloroethyl 3-([2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propoxy]carbonyl)propionate 、 水 在 Zn 、 CH₃COOH 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 以99%的产率得到3-([3-(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy-2,2-bis((1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl)propoxy]carbonyl)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：

  癸硼烷 、 2,2,2-trichloroethyl 3-([2,2-bis(prop-2-ynyloxymethyl)-3-(prop-2-ynyloxy)propoxy]carbonyl)propionate 在 1-butyl-3-methylimidazolium chloride 作用下， 以 甲苯 为溶剂， 以13.5%的产率得到2,2,2-trichloroethyl 3-([2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propoxy]carbonyl)propionate
  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