(η5,κS-C5H4B10H9C2(S)SCHCHCOOMe)Co(CH2CHC(CH2COOCH2CH3)COOCH2CH3) | 1383659-27-5

• 英文名称: (η5,κS-C5H4B10H9C2(S)SCHCHCOOMe)Co(CH2CHC(CH2COOCH2CH3)COOCH2CH3)
• CAS: 1383659-27-5
• 化学式: C₂₁H₃₃B₁₀CoO₆S₂
• 分子量: 612.725
• InChiKey: DZLDCQVSKMYBNH-DDUQGMKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2-methylpropanedithioic acid 、 (η5,κS-C5H4B10H9C2(S)SCHCHCOOMe)Co(CH2CHC(CH2COOCH2CH3)COOCH2CH3) 以 not given 为溶剂， 生成 (η5,κS-C5H4B10H9C2(S)SCHCHCOOMe)Co(S2CH(CH3)2)
  参考文献：
  名称：

  Cobalt-Promoted B–H and C–H Activation: Facile B–C Coupling of Carboranedithiolate and Cyclopentadienyl

  摘要：

  We report the one-pot reactions of the 16e(-) half-sandwich complex CpCoS2C2B10H10 (1), methyl propiolate, and 3e(-)-donor ligands, which lead to selective B-functionalization at carborane with cyclopentadienyl as a functional group at ambient temperature in good yields. Metal-promoted activations of both a B-H bond of the carborane and a C-H bond of the Cp unit take place sequentially in the cooperation of organic ligands. The reaction requires a 3e(-)-donor ligand and an activated alkyne and is therefore suitable for a broad range of substrates. This investigation provides a simple and efficient synthetic route to B-functionalized carborane derivatives.

  DOI：

  10.1021/ja303334t
• 作为产物：
  描述：

  2-vinylidenesuccinic acid diethyl ester 、 (η5-cyclopentadienyl)Co(1,2-dicarba-closo-dodecaborane-1,2-dithiolate) 以 二氯甲烷 为溶剂， 生成 (η5,κS-C5H4B10H9C2(S)SCHCHCOOMe)Co(CH2CHC(CH2COOCH2CH3)COOCH2CH3)
  参考文献：
  名称：

  Cobalt-Promoted B–H and C–H Activation: Facile B–C Coupling of Carboranedithiolate and Cyclopentadienyl

  摘要：

  We report the one-pot reactions of the 16e(-) half-sandwich complex CpCoS2C2B10H10 (1), methyl propiolate, and 3e(-)-donor ligands, which lead to selective B-functionalization at carborane with cyclopentadienyl as a functional group at ambient temperature in good yields. Metal-promoted activations of both a B-H bond of the carborane and a C-H bond of the Cp unit take place sequentially in the cooperation of organic ligands. The reaction requires a 3e(-)-donor ligand and an activated alkyne and is therefore suitable for a broad range of substrates. This investigation provides a simple and efficient synthetic route to B-functionalized carborane derivatives.

  DOI：

  10.1021/ja303334t

文献信息

• Cobalt-promoted B–H and C–H activation in the three-component reactions of 16-electron cobalt carboranedithiolate, alkyne and bronsted acids
  作者：Rui Zhang、Lin Zhu、Zhenzhong Lu、Hong Yan

  DOI：10.1016/j.jorganchem.2015.06.013

  日期：2015.12

  isolated where L1–L3 loses one proton to provide 3 electrons to metal and alkyne is reduced to olefin. If L4 and L5 are used, products 4a or 4b are generated where the Bronsted acid is not observed but the alkyne is reduced to sp3 and forms a five-membered ring with Co center. Allenes (L6 and L7) lead to 5a(L6) and 5a(L7) where an allyl unit is coordinated to metal. In case of CpH (L8), compounds 6a and 6b

  Cp ＃ Co（S 2 C 2 B 10 H 10）（Cp ＃ = Cp，1a ; MeCp，1b ; Me 4 Cp，1c ; Me 5 Cp，1d），丙酸甲酯（2）和报道了布朗斯台德酸有机配体（L1-L8）。1a和1b只能导致在碳硼烷上以环戊二烯基或甲基-环戊二烯基作为官能团在环境温度下进行选择性B-官能化，收率很高。根据所使用的布朗斯台德酸（L1-L8）的类型，可以获得四种包含B-C键的产品。如果选择了较强的配位体L1-L3，则可以分离化合物3a（L1-L3）和3b（L1-L3），其中L1-L3失去一个质子，从而为金属提供3个电子，炔烃被还原为烯烃。如果使用L4和L5，则生成产物4a或4b，其中未观察到布朗斯台德酸，但炔烃还原为sp 3并与Co中心形成一个五元环。烯丙基（L6和L7）导致5a（L6）和5a（L7），其中烯丙基单元与金属配位。在CpH（L8）的情况下，会生成含有原位的化