Ru3(CO)8(2-methyl-3-hydroxy-4-pyrone-H)2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: Ru3(CO)8(2-methyl-3-hydroxy-4-pyrone-H)2
• 英文别名: Ru3(CO)8(maltol-H)2；carbon monoxide;2-methyl-4-oxopyran-3-olate;ruthenium;ruthenium(1+)
• 化学式: C₂₀H₁₀O₁₄Ru₃
• 分子量: 777.501
• InChiKey: OQOCEZXULZIYHS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.26
• 重原子数：
  37
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Ru3(CO)8(2-methyl-3-hydroxy-4-pyrone-H)2 、 双二苯基膦甲烷 在 Me₃NO*2H₂O 作用下， 以 二氯甲烷 为溶剂， 以41.6%的产率得到[Ru3(CO)7(maltol-H)2]2(dppm)
  参考文献：
  名称：

  Syntheses, structures, and anticancer activity of novel organometallic ruthenium–maltol complexes

  摘要：

  Organometallic ruthenium complexes containing two dehydrogenated maltol ligands Ru-3(CO)(8)(2L-2H) 1, Ru-3(CO)(7)PPh3(2L-2H) 2, [Ru-3(CO)(7) (2L-2H)](2)(dppm or dppe) 3,4 (L = Maltol) have been synthesized and characterized. The in vitro anticancer activity of compounds 1-4 against seven types of human cancer cell lines was assessed and compared to clinically used drug cisplatin. The anticancer activity of compound 1 (Fig. 3) is many times more potent than cisplatin against seven types of human cancer cell lines. There is a correlation between substituting a CO ligand in 1 with different phosphines decreases the activity following the order 1 > 2 > 3 > 4. The X-ray crystal structures of complexes 1 and 2 are reported. The single crystal X-ray diffraction structure of 1 consists of a triangular ruthenium metal framework in which a Ru-Ru bond is bridged by two maltolate ligands with their two oxygen atoms in a mu-eta(2)-bonding mode. The dihedral angle between Ru3 and maltol planes is 40.2 degrees. The two ruthenium atoms bridged by maltol ligands each have two carbonyl ligands and the third ruthenium atom is bonded to four carbonyl ligands. The greatest structural difference between 1 and 2 is the angle between the best planes of the two coordinated C6H5O3-1 ligands; in 1 it is 27.1 degrees while in 2 it is 42.8 degrees. It is interesting to note that the phosphine substitution occurs at the ruthenium atom not bound by maltol ligands. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.12.011
• 作为产物：
  描述：

  麦芽醇 、 十二羰基三钌 以 正辛烷 为溶剂， 以92.6%的产率得到Ru3(CO)8(2-methyl-3-hydroxy-4-pyrone-H)2
  参考文献：
  名称：

  Syntheses, structures, and anticancer activity of novel organometallic ruthenium–maltol complexes

  摘要：

  Organometallic ruthenium complexes containing two dehydrogenated maltol ligands Ru-3(CO)(8)(2L-2H) 1, Ru-3(CO)(7)PPh3(2L-2H) 2, [Ru-3(CO)(7) (2L-2H)](2)(dppm or dppe) 3,4 (L = Maltol) have been synthesized and characterized. The in vitro anticancer activity of compounds 1-4 against seven types of human cancer cell lines was assessed and compared to clinically used drug cisplatin. The anticancer activity of compound 1 (Fig. 3) is many times more potent than cisplatin against seven types of human cancer cell lines. There is a correlation between substituting a CO ligand in 1 with different phosphines decreases the activity following the order 1 > 2 > 3 > 4. The X-ray crystal structures of complexes 1 and 2 are reported. The single crystal X-ray diffraction structure of 1 consists of a triangular ruthenium metal framework in which a Ru-Ru bond is bridged by two maltolate ligands with their two oxygen atoms in a mu-eta(2)-bonding mode. The dihedral angle between Ru3 and maltol planes is 40.2 degrees. The two ruthenium atoms bridged by maltol ligands each have two carbonyl ligands and the third ruthenium atom is bonded to four carbonyl ligands. The greatest structural difference between 1 and 2 is the angle between the best planes of the two coordinated C6H5O3-1 ligands; in 1 it is 27.1 degrees while in 2 it is 42.8 degrees. It is interesting to note that the phosphine substitution occurs at the ruthenium atom not bound by maltol ligands. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.12.011