| 197071-06-0

• CAS: 197071-06-0
• 化学式: C₃₂H₃₄Ba₂Cu₂F₃₆O₈
• 分子量: 1632.31
• InChiKey: UTSCVWBVWWJAKQ-UHFFFAOYSA-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

• 作为产物：
  描述：

  四氢呋喃 、 1,1,1,3,3,3-六氟-2-甲基-2-丙醇 、 mesitylcopper(I) 、 bis(tetrahydrofuran)barium bis 以 四氢呋喃 、 甲苯 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Heterometallic Fluoroalkoxides of Barium and Copper(I). Syntheses and Structures of [(Me₃NO)₂Ba₂Cu₄(TFTB)₈] and [(THF)₂Ba₂Cu₂(HFTB)₆]

  摘要：

  Reaction of HORF and in situ synthesized [Ba(ORF)(2)] (from Ba[N(SiMe3)(2)](2)(THF)(2) and HORF) with CuMes yields, in THF, [(THF)(2)Ba2Cu2(OCMe(CF3)(2))(6)]. In the case of HORF = HOCMe2CF3, only upon addition of Me3NO is a soluble product obtained: [(Me3NO)(2)Ba2Cu4(OCMe2CF3)(8)]. [(THF)(2)Ba2Cu2(OCMe(CF3)(2))(6)] has a square-planar Ba2Cu2O4 core structure with two additional alkoxides bridging the two bariums, giving the barium a tbp coordination environment. The structure of [(Me3NO)(2)Ba2Cu4(OCMe2CF3)(8)] is markedly different in that it has one more Cu-(OR) unit inserted into the Ba-(OR)-Ba unit. This gives the Ba2Cu4 core structure the shape of an octahedron and barium a square-pyramidal coordination environment. These structures are compared and contrasted with the structures of [Ba2Cu4(OCEt3)(8)], [(Et3PO)(2)Ba2Cu4((OBu)-Bu-t)(8)], and [(Me3NO)(2)Ba2Cu4((OBu)-Bu-t)8].

  DOI：

  10.1021/ic970234s