[(η5-C5Me4H)RhBr2)2] | 261170-14-3

• 英文名称: [(η5-C5Me4H)RhBr2)2]
• CAS: 261170-14-3
• 化学式: C₁₈H₂₆Br₄Rh₂
• 分子量: 767.831
• InChiKey: UJGUEGNQOUIRAM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [(η5-C5Me4H)RhBr2)2] 、 1,2-双(二五氟代苯基磷基)-乙烷 以 苯 为溶剂， 以53%的产率得到[(η5,η1,η1-C5HMe2-3,4-[CH2-2-C6F4P(C6F5)CH2]2-1,2)RhBr]Br
  参考文献：
  名称：

  Synthesis of rhodium complexes of an asymmetric η5,η1,η1-cyclo-pentadienyl-bis(phosphine) ligand by regioselective intramolecular dehydrofluorinative CC coupling

  摘要：

  The reaction between [{(eta (5)-C5Me4H)RhX2}(2)] and (C6F5)(2)PCH2CH2P(C(6)F7(5))(2) (dfppe) proceeds in refluxing benzene via cleavage of two C-F bonds and C-H bonds of adjacent methyl groups and formation of two C-C bonds to yield selectively the asymmetric cation [{eta (5),eta (1),eta (1)-C5HMe2-3,4-[CH2-2-C6F4P(C6F5)CH2](2)-1,2}RhX](+). The selectivity for X=Cl was determined to be > 90%. Treatment of [(eta (5)-C5Me4H)RhCl(dfppe)]BF4 With proton sponge afforded [{eta (5),eta (1),eta (1)-C5HMe2-3,4-[CH2-2-C6F4P(C6F5)CH2](2)- 1,2}RhCl]BF4 exclusively. The regioselectivity displayed by these reactions is in stark contrast to that in the reaction between [(Cp*RhX2)(2)] and dfppe, and that between [Cp*RhCl(dfppe)](+) and proton sponge, in which C-H bonds of methyl groups in a 1,3 disposition are cleaved to yield the cation [{eta (5),eta (1),eta (1)-C5Me3[CH2-2-C6F4P(C6F5)CH2](2)-1,3}RhX](+) exclusively. The structure of [{(eta (5)-C5Me4H)RhCl2}(2)] has been determined by single-crystal X-ray diffraction. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00602-8
• 作为产物：
  描述：

  μ2-dichlorobis(chloro(tetramethylcyclopentadienyl)rhodium) 、 sodium bromide 以 甲醇 为溶剂， 以53%的产率得到[(η5-C5Me4H)RhBr2)2]
  参考文献：
  名称：

  Synthesis of rhodium complexes of an asymmetric η5,η1,η1-cyclo-pentadienyl-bis(phosphine) ligand by regioselective intramolecular dehydrofluorinative CC coupling

  摘要：

  The reaction between [{(eta (5)-C5Me4H)RhX2}(2)] and (C6F5)(2)PCH2CH2P(C(6)F7(5))(2) (dfppe) proceeds in refluxing benzene via cleavage of two C-F bonds and C-H bonds of adjacent methyl groups and formation of two C-C bonds to yield selectively the asymmetric cation [{eta (5),eta (1),eta (1)-C5HMe2-3,4-[CH2-2-C6F4P(C6F5)CH2](2)-1,2}RhX](+). The selectivity for X=Cl was determined to be > 90%. Treatment of [(eta (5)-C5Me4H)RhCl(dfppe)]BF4 With proton sponge afforded [{eta (5),eta (1),eta (1)-C5HMe2-3,4-[CH2-2-C6F4P(C6F5)CH2](2)- 1,2}RhCl]BF4 exclusively. The regioselectivity displayed by these reactions is in stark contrast to that in the reaction between [(Cp*RhX2)(2)] and dfppe, and that between [Cp*RhCl(dfppe)](+) and proton sponge, in which C-H bonds of methyl groups in a 1,3 disposition are cleaved to yield the cation [{eta (5),eta (1),eta (1)-C5Me3[CH2-2-C6F4P(C6F5)CH2](2)-1,3}RhX](+) exclusively. The structure of [{(eta (5)-C5Me4H)RhCl2}(2)] has been determined by single-crystal X-ray diffraction. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00602-8