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 | 918476-84-3

• 英文名称: 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
• CAS: 918476-84-3
• 化学式: C₁₈H₅₂B₃₀O₇
• 分子量: 704.937
• InChiKey: UCMBGZFJDHCLNG-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：

  2,2,2-trichloroethyl 2,2-bis(methylol)propionate 、 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 在 4-(dimethylamino)pyridinium 4-toluenesulfonate 、 N,N'-dicyclohexylcarbodiimide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以90%的产率得到
  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：

  丁二酸酐 、 2,2-bis[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxymethyl]-3-[(1',2'-dicarba-closo-dodecaboran-1'-yl)oxy]propan-1-ol 在 NaH 作用下， 以 四氢呋喃 为溶剂， 以86%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