| 170467-50-2

• CAS: 170467-50-2
• 化学式: C₁₁H₁₆B₄Cl₃Co
• 分子量: 356.844
• InChiKey: VQGICBCGVXNMEH-DAEJUGQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (η5-cyclopentadienyl)Co(2,3-Et2C2B4H4) 、 氯 以 四氢呋喃 为溶剂， 以66%的产率得到
  参考文献：
  名称：

  Organotransition-Metal Metallacarboranes. 40. Regiospecific Halogenation of Transition-Metal Small Carborane Complexes

  摘要：

  Methods for efficient, controlled direct halogenation of C2B3 and C2B4 carborane ligands in neutral nido- and closo-metallacarborane sandwich complexes are described. In an extension of our earlier work in this area, reactions of nido-Cp'Co(2,3-Et(2)C(2)B(3)H(5)) (CP' = Cp*, Cp; Cp* = eta(5)-C(5)Me(5)) With N-halosuccinimides placed Cl, Br, or I substituents on B(4) and/or B(6) but not on the middle boron (B(5)). In contrast, similar treatment of closo-LM-(2,3-Et(2)C(2)B(4)H(4)) species in which LM is Cp'Co, Cp*FeH, (eta(6)-C8H10)Fe, or (eta(6)-MeC(6)H(4)CHMe(2))-Ru gave only B(5)-monohalogen products. However, the triple-decker sandwich complex CpCo(2,3-Et(2)C(2)B(3)H(5))CoCp was readily tribrominated by N-bromosuccinimide. Reactions of Cp'CO(Et(2)C(2)B(4)H(4)) with Cl-2 rapidly formed the respective B(5)-Cl derivatives, which in turn were converted to the B(4,5,6)-Cl-3 species; analogous reactions with Br-2 and I-2 were much slower and gave essentially only B(5)-monosubstituted products. The Cp'Co(Et(2)C(2)B(4)H(3)-5-X) derivatives (X = Cl, Br, I) were decapitated with TMEDA to give the corresponding nido-Cp'Co(Et(2)C(2)B(3)H(4)-5-X) products. The reaction of Cp*(FeH)-H-II(Et(2)C(2)B(4)H(4)) with TMEDA was found to both deprotonate and decapitate the complex, affording respectively Cp*Fe-III-(Et(2)C(2)B(4)H(4)) and the previously unknown nido-Cp*Fe-III-(Et(2)C(2)B(3)H(5)) complex. The new compounds were isolated via column chromatography and obtained in most cases as air-stable colored crystalline solids, characterized via multinuclear NMR, FTIR and mass spectroscopy.

  DOI：

  10.1021/om00010a033