[(1,3,5-tris[bis(1-pyrazolyl)methyl]benzene)(Re(CO)3Br)2]*(CH3)2CO | 876127-47-8

• 英文名称: [(1,3,5-tris[bis(1-pyrazolyl)methyl]benzene)(Re(CO)3Br)2]*(CH3)2CO
• CAS: 876127-47-8
• 化学式: C₃H₆O*C₃₃H₂₄Br₂N₁₂O₆Re₂
• 分子量: 1274.93
• InChiKey: OETGHUCWWFPONR-UHFFFAOYSA-L

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：

  五羰基溴铼(I) 、 1,3,5-tris[bis(1-pyrazolyl)methyl]benzene 以 甲苯 为溶剂， 生成 (1,3,5-tris(bis(1-pyrazolyl)methyl)benzene)Re(CO)3Br 、 [(1,3,5-tris[bis(1-pyrazolyl)methyl]benzene)(Re(CO)3Br)3] 、 [(1,3,5-tris[bis(1-pyrazolyl)methyl]benzene)(Re(CO)3Br)2]*(CH3)2CO
  参考文献：
  名称：

  Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand:  Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes

  摘要：

  The bis(pyrazolyl) methane starburst ligand 1,3,5-tris[bis(1-pyrazolyl)methyl]benzene (1,3,5-[CH(pz)(2)](3)C6H3) was prepared by the cobalt-catalyzed condensation reaction between 1,3,5-triformylbenzene and thionyldipyrazole. The addition of Re(CO)(5)Br to an excess of 1,3,5-[CH(pz)(2)](3)C6H3 resulted in the selective formation of the monometallic complex {1,3,5-[CH(pz)(2)]C6H3}Re(CO)(3)Br (1). When 2 equiv of Re(CO)(5)Br was reacted with 1 equiv of 1,3,5-[CH(pz)(2)](3)C6H3, the bimetallic complex {mu-1,3,5-[CH(pz)(2)](3)C6H3][Re(CO)(3)Br](2) (2) was produced as the major product. The trimetallic complex {mu-1,3,5-CH(pz)(2)]C6H3}[Re(CO)(3)Br](3) (3) was prepared by the reaction of an excess of Re(CO)(5)Br with 1,3,5[CH(pz)(2)](3)C6H3. Recrystallization of the complexes from acetone or acetonitrile resulted in the isolation of the crystalline compounds 1, 1 center dot (CH3)(2)CO, 2 center dot (CH3)(2)CO, 3(.)7CH(3)CN, 3(.)3(CH3)2CO, and 3(.)4.5(CH3()2)CO. The supramolecular structures of all the complexes are influenced by the 3-fold symmetric, fixed geometry of 1,3,5-[CH(pz)(2)](3) and each structure contains intricate networks of molecules, in some cases including alternating layers of complex and solvent molecules, organized through pi center dot center dot center dot pi, CH center dot center dot center dot pi, and other hydrogen-bonding interactions.

  DOI：

  10.1021/om0508684