Os3(CO)10(μ-SCCC6H5)(μ-H) | 165130-60-9

• 英文名称: Os3(CO)10(μ-SCCC6H5)(μ-H)
• 英文别名: [Os3(μ-H)(CO)10(μ-C8H5S)]
• CAS: 165130-60-9
• 化学式: C₁₈H₆O₁₀Os₃S
• 分子量: 984.906
• InChiKey: WXHPOPRDYAFMKY-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：

  Os3(CO)10(μ-SCCC6H5)(μ-H) 以 氘代氯仿 为溶剂， 生成 [Os3(CO)10(μ-C8H6S)]
  参考文献：
  名称：

  苯并[b]噻吩和二苯并噻吩与[Os3（CO）10（MeCN）2]的氧化加成反应：苯并[b]噻吩在tri簇上的室温开环

  摘要：

  摘要簇[Os3（CO）10（MeCN）2]与苯并[b]噻吩（C8H6S）的反应生成十羰基和九羰基氢化物[Os3（μ-H）（CO）10（μ-C8H5S）] （1）和[Os3（μ-H）2（CO）9（μ3-C8H4S）]（2），分别由一个和两个CH键断裂而成。另外，十碳羰基络合物[Os3（CO）10（μ-C8H6S）]（3）通过C–S键断裂形成。化合物1的热处理以良好的产率提供了簇2和3，并且在室温下观察到1缓慢，清洁且完全转化为3。由二苯并噻吩（C12H8S）通过一个苯甲酸酯基团的C–H键裂解获得[Os3（μ-H）2（CO）9（μ3-C12H6S）]（4），并通过X射线晶体学确定了其结构。有机配体通过σ-Os-C键与两个Os原子键合，并与第三个Os原子进行η2-接触，

  DOI：

  10.1016/s0020-1693(98)00357-0
• 作为产物：
  描述：

  bis(acetonitrile)decacarbonyltriosmium 、 苯并噻吩 以 二氯甲烷 为溶剂， 以10%的产率得到Os3(CO)10(μ-SCCC6H5)(μ-H)
  参考文献：
  名称：

  os簇配合物对苯并噻吩基配体的配位和转化

  摘要：

  The reactions benzothiophene and 1-bromobenzothiophene with Os-3(CO)(10)(NCMe)(2) have been investigated. The reaction of benzothiophene with Os-3(CO)(10)(NCMe)(2) at 25 degrees C yielded two pro ducts Os-3(CO)(10)(mu-SCCHC6H5)(mu-H), 1 (10%), and Os-3(CO)(9)(mu(3)-SCCC6H5)(mu-H)(2), 2 (8%). Both products were characterized by single crystal X-ray diffraction analyses. Both products contain benzothiophene ligands transformed by the activation of one and two of the C-H bonds, respectively, of the benzothiophene molecule. Compound 1 consists of a closed triosmium cluster with a mu(3)-eta(2)-benzothienyl ligand coordinated to an edge of the cluster through the C-C double bond in the five-membered ring of the ligand. Compound 2 contains a mu(3)-eta(2)-benzothiophyne ligand coordinated to the face of a closed triosmium cluster. Compound 1 was transformed to 2 in 80% yield by heating to 125 degrees C in octane solvent. The reaction of 1-bromobenzothiophene with Os-3(CO)(10)(NCMe)(2) at 25 degrees C yielded two products: Os-3(CO)(10)(mu-SCCHC6H5)(mu-Br), 3 (32%), and Os-3(CO)(9)(mu(3)-SCCHC6H5)(mu-Br), 4 (10%) Both products were characterized by single crystal X-ray diffraction analyses. Both products contain benzothienyl ligands formed by the oxidative addition of the C-Br bond of the bromobenzothiophene to the cluster. In 3 the benzothienyl ligand is coordinated across the open edge of an open triosmium cluster through the sulfur and adjacent carbon atom. In 4 the benzothienyl ligand is a triply bridging ligand using the sulfur atom and the C-C double bond of the five-membered ring. Compound 3 was transformed to 4 in 74% yield by heating to 97 degrees C in heptane solvent for 30 min. Crystal data for 1: space group = P2(1)/n, a = 7.668(2) Angstrom, b = 31.464(5) Angstrom, c = 9.452(2) Angstrom, beta = 105.48(2)degrees, Z = 4, 2563 reflections, R = 0.035. Crystal data for 2: space group = P1 $($) over bar$$, a = 9.791(1) Angstrom, b = 14.576(2) Angstrom, c = 8.094(1) Angstrom, alpha = 95.44(1)degrees, beta = 107.47(1)degrees, gamma = 95.23(1)degrees, Z = 2, 2218 reflections, R = 0.024. Crystal data for 3: space group = P2(1)/c, a = 9.116(2) Angstrom, b = 15.577(3) Angstrom c = 16.270(3) Angstrom, beta = 100.16(1)degrees, Z = 4, 2193 reflections, R = 0.038. Crystal data for 4: space group = P2(1)/n, a = 7.796(1) Angstrom, b = 15.543(3) Angstrom, c = 17.640(2) Angstrom, beta = 90.48(1)degrees, Z = 4, 2288 reflections, R = 0.028.

  DOI：

  10.1021/om00005a025