1,2,3,4,5-Pentamethyl-5-(trichloromethyl)cyclopenta-1,3-diene | 164403-38-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,2,3,4,5-Pentamethyl-5-(trichloromethyl)cyclopenta-1,3-diene
• 英文别名: 1,2,3,4,5-pentamethyl-5-(trichloromethyl)cyclopenta-1,3-diene
• CAS: 164403-38-7
• 化学式: C₁₁H₁₅Cl₃
• 分子量: 253.599
• InChiKey: HYUMSQNZZKOZCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  四氯化碳 、 [(η5-pentamethylcyclopentadienyl)Fe(CN-t-Bu)(μ2-SEt)2SEtFe(η5-pentamethylcyclopentadienyl)] 以 四氢呋喃 为溶剂， 以88%的产率得到[(η5-pentamethylcyclopentadienyl)Fe(CN-t-Bu)(μ2-SEt)2FeCl2]
  参考文献：
  名称：

  Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ₂-SR)₃FeCp*] (Cp* = η⁵-C₅Me₅; R = Et, Ph)

  摘要：

  The novel thiolate-bridged diiron complexes [Cp*Fe(mu(2)-SR)(3)FeCp*] (1, R = Et; 2, R = Ph) have been obtained by the reaction of [Cp*FeCl](2) with LiSEt or LiSPh in THF. Treatment of 1 with CO or (CNBu)-Bu-t in THF gives complex [Cp*FeSEt(mu(2)-SEt)(2)FeCp*CO] (3) or [Cp*FeSEt(mu(2)-SEt)(2)FeCp*(CNBu)-Bu-t] (4), while reaction of 1 with (CNBu)-Bu-t in CH2Cl2 results in the formation of complex [Cl2Fe(mu(2)-SEt)(2)FeCp*(CNBu)-Bu-t] (5). These five complexes have been spectroscopically and crystallographically characterized. In addition, the formation of 5 indicates that this class of clusters might serve as carbon-halogen bond activation reagents (catalysts), and carbon-halogen bond cleavage reaction of 4 is also described.

  DOI：

  10.1021/om0611148

文献信息

• Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ₂-SR)₃FeCp*] (Cp* = η⁵-C₅Me₅; R = Et, Ph)
  作者：Yanhui Chen、Yuhan Zhou、Jingping Qu

  DOI：10.1021/om0611148

  日期：2008.2.1

  The novel thiolate-bridged diiron complexes [Cp*Fe(mu(2)-SR)(3)FeCp*] (1, R = Et; 2, R = Ph) have been obtained by the reaction of [Cp*FeCl](2) with LiSEt or LiSPh in THF. Treatment of 1 with CO or (CNBu)-Bu-t in THF gives complex [Cp*FeSEt(mu(2)-SEt)(2)FeCp*CO] (3) or [Cp*FeSEt(mu(2)-SEt)(2)FeCp*(CNBu)-Bu-t] (4), while reaction of 1 with (CNBu)-Bu-t in CH2Cl2 results in the formation of complex [Cl2Fe(mu(2)-SEt)(2)FeCp*(CNBu)-Bu-t] (5). These five complexes have been spectroscopically and crystallographically characterized. In addition, the formation of 5 indicates that this class of clusters might serve as carbon-halogen bond activation reagents (catalysts), and carbon-halogen bond cleavage reaction of 4 is also described.