molybdocene 1,1,4,4-tetraoxotetrasulfide | 874916-23-1

• 英文名称: molybdocene 1,1,4,4-tetraoxotetrasulfide
• CAS: 874916-23-1
• 化学式: C₁₀H₁₀MoO₄S₄
• 分子量: 418.391
• InChiKey: YLPCHHOSSDBWQA-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：

  molybdocene 1,1,4,4-tetraoxotetrasulfide 以 二甲基亚砜 为溶剂， 生成 molybdocene tetrasulfide
  参考文献：
  名称：

  Rearrangement of Molybdocene Tetraoxotetrasulfide Cp₂MoS₄O₄ to Give [(Cp₂MoS₂H)₂](HSO₄)₂:  A Novel Proton-Stabilized Molybdocene Disulfide Dimer

  摘要：

  Cp2MoS4, 1, in CH2Cl2 undergoes extensive oxidation by m-CPBA at -78 degrees C to give a 1,1,4,4-tetroxide, 2 (59%). Tetraoxide 2 rearranges at room temperature to give an unusual sulfur-atom protonated molybdocene disulfide dimer [(Cp2MOS2H)(2)](HSO4)(2), 3. Crystal data for 3 are P (1) over bar, a = 6.751(2) angstrom, b = 9.865(4) angstrom, c = 11.549(5) angstrom, alpha = 109.95(3)degrees, beta = 96.11(3)degrees, gamma = 108.22(3)degrees, V = 666.9(4) angstrom(3), and Z = 1. The dimer was also obtained directly when the oxidation was conducted at 0 degrees C in DMF Under basic conditions, the dimer is cleaved to give molybdocene disulfide Cp2MoS2, while treatment of the latter with acid converts it to the dimer 3.

  DOI：

  10.1021/ic051332d
• 作为产物：
  描述：

  molybdocene tetrasulfide 、 间氯过氧苯甲酸 以 二氯甲烷 为溶剂， 以59%的产率得到molybdocene 1,1,4,4-tetraoxotetrasulfide
  参考文献：
  名称：

  Rearrangement of Molybdocene Tetraoxotetrasulfide Cp₂MoS₄O₄ to Give [(Cp₂MoS₂H)₂](HSO₄)₂:  A Novel Proton-Stabilized Molybdocene Disulfide Dimer

  摘要：

  Cp2MoS4, 1, in CH2Cl2 undergoes extensive oxidation by m-CPBA at -78 degrees C to give a 1,1,4,4-tetroxide, 2 (59%). Tetraoxide 2 rearranges at room temperature to give an unusual sulfur-atom protonated molybdocene disulfide dimer [(Cp2MOS2H)(2)](HSO4)(2), 3. Crystal data for 3 are P (1) over bar, a = 6.751(2) angstrom, b = 9.865(4) angstrom, c = 11.549(5) angstrom, alpha = 109.95(3)degrees, beta = 96.11(3)degrees, gamma = 108.22(3)degrees, V = 666.9(4) angstrom(3), and Z = 1. The dimer was also obtained directly when the oxidation was conducted at 0 degrees C in DMF Under basic conditions, the dimer is cleaved to give molybdocene disulfide Cp2MoS2, while treatment of the latter with acid converts it to the dimer 3.

  DOI：

  10.1021/ic051332d