| 204926-64-7

• CAS: 204926-64-7
• 化学式: BF₄*C₂₅H₃₁N₃OPRu
• 分子量: 608.389
• InChiKey: JXSWYVKTFLCRGT-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：

  四氟硼酸-二乙醚络合物 、 以 二氯甲烷-D2 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, Characterization, and Acidity of Ruthenium Dihydrogen Complexes with 1,4,7-Triazacyclononane, 1,4,7-Trimethyl-1,4,7-triazacyclononane, and Hydrotris(pyrazolyl)borato Ligands

  摘要：

  Protonation of [(R)CnRuH(L)(L')](+) ((R)Cn = 1,4,7-triazacyclononane and 1,4,7-trimethyl-1,4,7-triazacyclononane; L,L' (PPh3)(2), dppe, and CO,PPh3) produced the corresponding dicationic dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+). Protonation of TpRuH(dppe) (Tp=hydrotris(pyrazolyl)borato) yielded the new monocationic dihydrogen complex [TpRu(H-2)(dppe)](+). The acidity of the dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+) and monocationic dihydrogen complexes [TpRu(H-2)(L)(L')](+) (L,L'=dppe, (PPh3)(2), CH3CN,PPh3, and CO,PPh3) has been studied. It was found that the dicationic complexes are more acidic than their monocationic Tp and Cp counterparts. [(Me)CnRu(H-2)(CO)(PPh3)](2+) was found to be more acidic than [(H)CnRu(H-2)(CO)(PPh3)](2+), probably due to the stronger H-H interaction in the latter complex. It is also noted that triazacyclononane and hydrotris(pyrazolyl)borato dihydrogen complexes with pseudo aqueous pK(a) values well above that of H3O+ can be deprotonated by H2O to form the corresponding monohydride complexes in organic/aqueous mixed solvents. It is believed that deprotonation of the dihydrogen ligands in these complexes is assisted by strong solvation of H+ by H2O.

  DOI：

  10.1021/om9710374
• 作为产物：
  描述：

  氟硼酸钠 、 [RuHCl(CO)(PPh₃)₃] 、 1,4,7-三氮杂环壬烷 以 乙二醇甲醚 为溶剂， 以27%的产率得到
  参考文献：
  名称：

  Synthesis, Characterization, and Acidity of Ruthenium Dihydrogen Complexes with 1,4,7-Triazacyclononane, 1,4,7-Trimethyl-1,4,7-triazacyclononane, and Hydrotris(pyrazolyl)borato Ligands

  摘要：

  Protonation of [(R)CnRuH(L)(L')](+) ((R)Cn = 1,4,7-triazacyclononane and 1,4,7-trimethyl-1,4,7-triazacyclononane; L,L' (PPh3)(2), dppe, and CO,PPh3) produced the corresponding dicationic dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+). Protonation of TpRuH(dppe) (Tp=hydrotris(pyrazolyl)borato) yielded the new monocationic dihydrogen complex [TpRu(H-2)(dppe)](+). The acidity of the dihydrogen complexes [(R)CnRU(H-2)(L)(L')](2+) and monocationic dihydrogen complexes [TpRu(H-2)(L)(L')](+) (L,L'=dppe, (PPh3)(2), CH3CN,PPh3, and CO,PPh3) has been studied. It was found that the dicationic complexes are more acidic than their monocationic Tp and Cp counterparts. [(Me)CnRu(H-2)(CO)(PPh3)](2+) was found to be more acidic than [(H)CnRu(H-2)(CO)(PPh3)](2+), probably due to the stronger H-H interaction in the latter complex. It is also noted that triazacyclononane and hydrotris(pyrazolyl)borato dihydrogen complexes with pseudo aqueous pK(a) values well above that of H3O+ can be deprotonated by H2O to form the corresponding monohydride complexes in organic/aqueous mixed solvents. It is believed that deprotonation of the dihydrogen ligands in these complexes is assisted by strong solvation of H+ by H2O.

  DOI：

  10.1021/om9710374