[Ru3(μ-H)(μ3-((C6H4)(C6H3)N2))(CO)9] | 1355253-41-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: [Ru3(μ-H)(μ3-((C6H4)(C6H3)N2))(CO)9]
• 英文别名: carbon monoxide;hydride;1H-phenazin-1-ide;ruthenium;ruthenium(1+)
• CAS: 1355253-41-6
• 化学式: C₂₁H₈N₂O₉Ru₃
• 分子量: 735.513
• InChiKey: CUXAYVCNRMVWTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  35
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.8
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 [Ru3(μ-H)(μ3-((C6H4)(C6H3)N2))(CO)9] 以 四氢呋喃 为溶剂， 生成 [Ru4(μ4-((C6H4)(C6H3)N2H))(μ-CO)(CO)10] 、 [Ru6(μ5-((C6H4)(C6H3)N2H))(μ-CO)3(CO)12]
  参考文献：
  名称：

  Reaction of [Ru₃(CO)₁₂] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C–H Oxidative Addition or a Long-Distance C-to-N Prototropy

  摘要：

  Three products, [Ru-3(mu-H)(mu(3)-{(C6H4)(C6H3)N-2})(CO)(9)] (1), [Ru-4(mu(4)-{(C6H4)(C6H3)N2H})(mu-CO)(CO)(10)] (2), and [Ru-6(mu(5)-{(C6H4)(C6H3)-N2H})(mu-CO)(3)(CO)(12)] (3), have been prepared by treating [Ru-3(CO)(12)] with phenazine. Compounds 2 and 3 are formed from compound 1 by stepwise addition of Ru(CO)(n) fragments. While compound 1 has a C-metalated ligand that arises from an oxidative addition of a phenazine C-H bond, compounds 2 and 3 contain a C-metalated phenazine NH tautomer. In these complexes, the resulting ligands are attached to three (1), four (2), or five (3) metal atoms using different coordination modes.

  DOI：

  10.1021/om200983a
• 作为产物：
  描述：

  酚嗪 、 十二羰基三钌 以 四氢呋喃 为溶剂， 以22%的产率得到[Ru3(μ-H)(μ3-((C6H4)(C6H3)N2))(CO)9]
  参考文献：
  名称：

  Reaction of [Ru₃(CO)₁₂] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C–H Oxidative Addition or a Long-Distance C-to-N Prototropy

  摘要：

  Three products, [Ru-3(mu-H)(mu(3)-{(C6H4)(C6H3)N-2})(CO)(9)] (1), [Ru-4(mu(4)-{(C6H4)(C6H3)N2H})(mu-CO)(CO)(10)] (2), and [Ru-6(mu(5)-{(C6H4)(C6H3)-N2H})(mu-CO)(3)(CO)(12)] (3), have been prepared by treating [Ru-3(CO)(12)] with phenazine. Compounds 2 and 3 are formed from compound 1 by stepwise addition of Ru(CO)(n) fragments. While compound 1 has a C-metalated ligand that arises from an oxidative addition of a phenazine C-H bond, compounds 2 and 3 contain a C-metalated phenazine NH tautomer. In these complexes, the resulting ligands are attached to three (1), four (2), or five (3) metal atoms using different coordination modes.

  DOI：

  10.1021/om200983a