Os(η(6)-C6Me6)(η(4)-endo-o-C6Me4(CH2)2) | 217310-57-1

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 醌二甲烷类
• 英文名称: Os(η(6)-C6Me6)(η(4)-endo-o-C6Me4(CH2)2)
• 英文别名: 1,2,3,4,5,6-hexamethylbenzene;osmium;1,2,3,4-tetramethyl-5,6-dimethylidenecyclohexa-1,3-diene
• CAS: 217310-57-1
• 化学式: C₂₄H₃₄Os
• 分子量: 512.734
• InChiKey: VFWLHTRTZVJHTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  三甲基膦 、 Os(η(6)-C6Me6)(η(4)-endo-o-C6Me4(CH2)2) 以 甲苯 为溶剂， 以98%的产率得到Os(PMe3)(η(6)-C6Me6)(κ(2)-o-C6Me4(CH2)2)
  参考文献：
  名称：

  Thermally induced endo to exo isomerization in the o-xylylene complexes of zerovalent ruthenium and osmium, M(η6-C6Me6){η4-o-(CH2)2C6Me4} (M=Ru, Os)

  摘要：

  The endo-tetramethyl-o-xylylene complexes M(eta(6)-C6Me6){eta(4)-o-C6Me4(CH2)(2)} (M = Ru (endo-1), Os (endo-2)) isomerize to their exo-isomers on heating in the solid state at 400 degrees C for 5 min. The osmium compound exo-2 forms a 1:1 adduct with PMe3, Os(PMe3)(eta(6)-C6Me6)[kappa(2)-o-(CH2)(2)C6Me4} (5) in which the tetramethyl-o-xylylene is a bidentate sigma-donor; the ruthenium compound exo-1 is unreactive. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00900-0
• 作为产物：
  描述：

  [Os(η(6)-C6Me6)2](BF4)2 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到Os(η(6)-C6Me6)(η(4)-endo-o-C6Me4(CH2)2)
  参考文献：
  名称：

  Thermally induced endo to exo isomerization in the o-xylylene complexes of zerovalent ruthenium and osmium, M(η6-C6Me6){η4-o-(CH2)2C6Me4} (M=Ru, Os)

  摘要：

  The endo-tetramethyl-o-xylylene complexes M(eta(6)-C6Me6){eta(4)-o-C6Me4(CH2)(2)} (M = Ru (endo-1), Os (endo-2)) isomerize to their exo-isomers on heating in the solid state at 400 degrees C for 5 min. The osmium compound exo-2 forms a 1:1 adduct with PMe3, Os(PMe3)(eta(6)-C6Me6)[kappa(2)-o-(CH2)(2)C6Me4} (5) in which the tetramethyl-o-xylylene is a bidentate sigma-donor; the ruthenium compound exo-1 is unreactive. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00900-0