molybdocene dithiosulfate | 445297-06-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: molybdocene dithiosulfate
• 英文别名: cyclopenta-1,3-diene;molybdenum(4+);oxido-oxo-sulfanylidene-sulfido-λ6-sulfane
• CAS: 445297-06-3
• 化学式: C₁₀H₁₀MoO₂S₃
• 分子量: 354.326
• InChiKey: RABYKBUSFLXLJH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  molybdocene disulfide 、 二氧化硫 以 乙醇 、 二氯甲烷 为溶剂， 以100%的产率得到molybdocene dithiosulfate
  参考文献：
  名称：

  Insertion of SO₂ into the S−S Bond of Cp₂MoS₂ and Cp₂MoS₂O To Give Molybdocene Dithiosulfate and Bis(O-alkylthiosulfates)

  摘要：

  Cp2MoS2, 3, reacts with SO2 in CH2Cl2/EtOH mixtures to give Cp2MoS3O2, 4, wherein the SO2 has inserted into the S-S bond to give a dithiosulfate ligand. Crystal data for 4: P2(1)/n, a = 7.6782(6) Angstrom, b = 14.580(3) Angstrom, c = 10.2730(10) Angstrom, beta = 92.04(l)degrees, V = 1149(3) Angstrom(3), Z = 4. Cp2MoS2O 5, reacts with SO2 in CH2Cl2 to give low yields of 4 plus other identified products. 5 reacts with SO2 in MeOH and EtOH to give the corresponding bis(O-alkylthiosulfate), 6a and 6b, respectively. Crystal data for 6a: P (1) over bar, a = 8.3226(13) Angstrom, b = 8.4736(11) Angstrom, c = 12.382(2) Angstrom, alpha = 87.803(l 1)degrees, beta = 77.758(l 1)degrees, gamma = 86.383(12)degrees, V = 851.4(2) Angstrom(3), Z = 2.

  DOI：

  10.1021/ic011001a

文献信息

• Rearrangement of Molybdocene Tetraoxotetrasulfide Cp₂MoS₄O₄ to Give [(Cp₂MoS₂H)₂](HSO₄)₂:  A Novel Proton-Stabilized Molybdocene Disulfide Dimer
  作者：Andrzej Z. Rys、Anne-Marie Lebuis、Alan Shaver

  DOI：10.1021/ic051332d

  日期：2006.1.1

  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.