[Os(η4-cyclooctadiene)(CH3CN)](μ-H)(μ-Cl)2[OsCl(η4-1,5-cyclooctadiene)] | 1034474-49-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Os(η4-cyclooctadiene)(CH3CN)](μ-H)(μ-Cl)2[OsCl(η4-1,5-cyclooctadiene)]
• 英文别名: [Os(η4-COD)(CH3CN)](μ-H)(μ-Cl)2[OsCl(η4-COD)]；acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;hydride;osmium(2+);trichloride
• CAS: 1034474-49-1
• 化学式: C₁₈H₂₈Cl₃NOs₂
• 分子量: 745.186
• InChiKey: MUJDIBXCFJQNDV-QOYBVZGQSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.01
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [Os(η4-cyclooctadiene)(CH3CN)](μ-H)(μ-Cl)2[OsCl(η4-1,5-cyclooctadiene)] 、 三异丙基膦 以 四氢呋喃 为溶剂， 以81%的产率得到[Os(η4-cyclooctadiene)(Pi-Pr3)](μ-H)(μ-Cl)2[OsCl(η4-1,5-cyclooctadiene)]
  参考文献：
  名称：

  [H(EtOH)₂][{OsCl(η⁴-COD)}₂(μ-H)(μ-Cl)₂] as an Intermediate for the Preparation of [OsCl₂(COD)]_x and Its Activity as an Ionic Hydrogenation and Etherification Catalyst

  摘要：

  Complex [H(EtOH)(2)][{OsCl(eta(4)-COD)}(2)(mu-H)(mu-Cl)(2)] (1) reacts with 1-hexene, acetone, and acetophenone to give the corresponding reduced organic substrates and the osmium polymer [OsCl2(COD)](x) (2, COD = 1,5-cyclooctadiene), which regenerates 1 in ethanol. The reaction of 2 with acetonitrile leads to the mononuclear derivative OsCl2(eta(4)-COD)(CH3CN)(2) (3). On the other hand, treatment of 1 with acetonitrile affords the neutral dimer {Os(CH3CN)(eta(4)-COD)}(mu-H)(mu-Cl)(2){OsCl(eta(4)-COD)} (4), which has been characterized by X-ray diffraction analysis. The reaction of 4 with triisopropylphosphine gives {Os(Pi-Pr-3)(eta(4)-COD)}(mu-H)(mu-Cl)(2){OsCl(eta(4)-COD)} (5). Complex 1 is an active catalyst for the ionic hydrogenation of aldehydes and ketones, using 2-propanol as hydrogen source. The reductions of aromatic compounds are easier than those of aliphatic ones, and the hydrogenations of aldehydes are also easier than those of ketones. Complex 1 also promotes the alcohol etherification and one-pot synthesis of isopropyl ethers starting from 2-propanol and the corresponding aldehyde or ketone through catalytic hydrogenation-etherification tandem processes.

  DOI：

  10.1021/om800150z
• 作为产物：
  描述：

  [H(ethanol)2][(OsCl(η4-1,5-cyclooctadiene))2(μ-H)(μ-Cl)2] 、 乙腈 以 乙腈 为溶剂， 以70%的产率得到[Os(η4-cyclooctadiene)(CH3CN)](μ-H)(μ-Cl)2[OsCl(η4-1,5-cyclooctadiene)]
  参考文献：
  名称：

  [H(EtOH)₂][{OsCl(η⁴-COD)}₂(μ-H)(μ-Cl)₂] as an Intermediate for the Preparation of [OsCl₂(COD)]_x and Its Activity as an Ionic Hydrogenation and Etherification Catalyst

  摘要：

  Complex [H(EtOH)(2)][{OsCl(eta(4)-COD)}(2)(mu-H)(mu-Cl)(2)] (1) reacts with 1-hexene, acetone, and acetophenone to give the corresponding reduced organic substrates and the osmium polymer [OsCl2(COD)](x) (2, COD = 1,5-cyclooctadiene), which regenerates 1 in ethanol. The reaction of 2 with acetonitrile leads to the mononuclear derivative OsCl2(eta(4)-COD)(CH3CN)(2) (3). On the other hand, treatment of 1 with acetonitrile affords the neutral dimer {Os(CH3CN)(eta(4)-COD)}(mu-H)(mu-Cl)(2){OsCl(eta(4)-COD)} (4), which has been characterized by X-ray diffraction analysis. The reaction of 4 with triisopropylphosphine gives {Os(Pi-Pr-3)(eta(4)-COD)}(mu-H)(mu-Cl)(2){OsCl(eta(4)-COD)} (5). Complex 1 is an active catalyst for the ionic hydrogenation of aldehydes and ketones, using 2-propanol as hydrogen source. The reductions of aromatic compounds are easier than those of aliphatic ones, and the hydrogenations of aldehydes are also easier than those of ketones. Complex 1 also promotes the alcohol etherification and one-pot synthesis of isopropyl ethers starting from 2-propanol and the corresponding aldehyde or ketone through catalytic hydrogenation-etherification tandem processes.

  DOI：

  10.1021/om800150z