| 1391824-81-9

• CAS: 1391824-81-9
• 化学式: C₂HF₃O₂*C₆H₂₁B₁₀N₃
• 分子量: 357.387
• InChiKey: ZQVKWHVLLKOMQT-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：

  在 sodium fluoride 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以100%的产率得到
  参考文献：
  名称：

  Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes

  摘要：

  A series of carborane derivatives bearing guanidine substituents were prepared and characterized, and their reactivity toward Re(I) and Tc(I) in aqueous media was evaluated. Guanidinylation was achieved by treating 1-aminomethyl-1,2-closo-dodecaborane with N-1,N-2-di-Boc-1H-pyrazole-1-carboxamidine, and the associated N-ethyl derivative, which produced the desired products in good (circa 50%) yield. These were deprotected and converted to the corresponding nido-carboranes, which, when combined with [M(CO)(3)(H2O)(3)](+) (M = Re and Tc-99m) at room temperature for 3 h or 35 degrees C for 1 h, afforded the corresponding eta(5)-metallocarborane complexes. Corresponding reactions involving carboranes without basic substituents generally require microwave heating at temperatures greater than 150 degrees C. The rate, yields, and the temperature of the reaction appear to be dependent on the basicity of the guanidines tested. The biodistribution of two of the Tc-99m complexes, which are stable indefinitely in solution, were evaluated in vivo in CD1 mice and showed that the Tc-99m-carboranyl guanidine complexes clear key nontarget organs and tissues within one half-life (6 h) and have properties that are desirable for developing targeted molecular imaging probes.

  DOI：

  10.1021/om300521j
• 作为产物：
  描述：

  (HCB₁₀H₁₀C)CH₂NHC(NBoc)N(Et)Boc 、 三氟乙酸 以 二氯甲烷 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes

  摘要：

  A series of carborane derivatives bearing guanidine substituents were prepared and characterized, and their reactivity toward Re(I) and Tc(I) in aqueous media was evaluated. Guanidinylation was achieved by treating 1-aminomethyl-1,2-closo-dodecaborane with N-1,N-2-di-Boc-1H-pyrazole-1-carboxamidine, and the associated N-ethyl derivative, which produced the desired products in good (circa 50%) yield. These were deprotected and converted to the corresponding nido-carboranes, which, when combined with [M(CO)(3)(H2O)(3)](+) (M = Re and Tc-99m) at room temperature for 3 h or 35 degrees C for 1 h, afforded the corresponding eta(5)-metallocarborane complexes. Corresponding reactions involving carboranes without basic substituents generally require microwave heating at temperatures greater than 150 degrees C. The rate, yields, and the temperature of the reaction appear to be dependent on the basicity of the guanidines tested. The biodistribution of two of the Tc-99m complexes, which are stable indefinitely in solution, were evaluated in vivo in CD1 mice and showed that the Tc-99m-carboranyl guanidine complexes clear key nontarget organs and tissues within one half-life (6 h) and have properties that are desirable for developing targeted molecular imaging probes.

  DOI：

  10.1021/om300521j