cis,trans-[(η5-C5H3)(CMe2)RhCl2]n | 1123201-85-3

• 英文名称: cis,trans-[(η5-C5H3)(CMe2)RhCl2]n
• CAS: 1123201-85-3
• 化学式: C₁₆H₁₈Cl₄Rh₂
• 分子量: 557.942
• InChiKey: UMHISTHLOFAALZ-UHFFFAOYSA-J

计算性质

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

• 作为反应物：
  描述：

  乙烯 、 cis,trans-[(η5-C5H3)(CMe2)RhCl2]n 在 Na₂CO₃ 作用下， 以 乙醇 为溶剂， 以5%的产率得到trans-[(η5-C5H3)(CMe2)Rh(η2-C2H4)2]2
  参考文献：
  名称：

  Syntheses and characterization of iridium and rhodium ethylene complexes containing a doubly linked cyclopentadienyl ligand

  摘要：

  The dimerization of 6,6-dimethylfulvene with Ni(cod)(2) yields the 4,4,8,8-tetramethyl-3a,4,7a,8-tetrahydros-indacene isomer (1a). Heating a solution of 1a converts it to the 1,4,5,8 (1b) and 1,4,7,8 (1c) tetrahydro-s-indacene isomers. The activation energy for the isomerization is 23(1) kcal/mol. 1b and 1c can be deprotonated with n-BuLi and the reaction of the dianion with [ClIr(C(2)H(4))(2)](2) gives two isomers, cis-[(eta(5)-C(5)H(3))(CMe(2))Ir(C(2)H(4))(2)](2) (cis- 2) and trans-[(eta(5)-C(5)H(3))(CMe(2))Ir(C(2)H(4))(2)](2) (trans- 2). Reaction of 1b and 1c with RhCl(3) center dot xH(2)O in refluxing methanol yields a red-orange solid, which was consistent with the empirical formula, [(C(5)H(3))(CMe(2))RhCl(2)](n) (3). Reaction of 3 with C(2)H(4) in a Na(2)CO(3)/ethanol mixture afforded cis-[(eta(5)-C(5)H(3))(CMe(2))Rh(C(2)H(4))(2)](2) in 5% yield. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.04.025
• 作为产物：
  描述：

  氯化铑(三水) 、 4,4,8,8-tetramethyl-1,4,5,8-tetrahydro-s-indacene 、 4,4,8,8-tetramethyl-1,4,5,8-tettahydro-s-indacene 以 甲醇 为溶剂， 以87%的产率得到cis,trans-[(η5-C5H3)(CMe2)RhCl2]n
  参考文献：
  名称：

  Syntheses and characterization of iridium and rhodium ethylene complexes containing a doubly linked cyclopentadienyl ligand

  摘要：

  The dimerization of 6,6-dimethylfulvene with Ni(cod)(2) yields the 4,4,8,8-tetramethyl-3a,4,7a,8-tetrahydros-indacene isomer (1a). Heating a solution of 1a converts it to the 1,4,5,8 (1b) and 1,4,7,8 (1c) tetrahydro-s-indacene isomers. The activation energy for the isomerization is 23(1) kcal/mol. 1b and 1c can be deprotonated with n-BuLi and the reaction of the dianion with [ClIr(C(2)H(4))(2)](2) gives two isomers, cis-[(eta(5)-C(5)H(3))(CMe(2))Ir(C(2)H(4))(2)](2) (cis- 2) and trans-[(eta(5)-C(5)H(3))(CMe(2))Ir(C(2)H(4))(2)](2) (trans- 2). Reaction of 1b and 1c with RhCl(3) center dot xH(2)O in refluxing methanol yields a red-orange solid, which was consistent with the empirical formula, [(C(5)H(3))(CMe(2))RhCl(2)](n) (3). Reaction of 3 with C(2)H(4) in a Na(2)CO(3)/ethanol mixture afforded cis-[(eta(5)-C(5)H(3))(CMe(2))Rh(C(2)H(4))(2)](2) in 5% yield. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.04.025