diiodocobalt(1+);1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene | 355132-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: diiodocobalt(1+);1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene
• CAS: 355132-02-4
• 化学式: C₂₂H₃₄Co₂I₄
• 分子量: 924.116
• InChiKey: BDJVRBOXNGHPDK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.94
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 diiodocobalt(1+);1-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene 以 N,N-二甲基甲酰胺 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Cyclopentadienylcobalt complexes containing sulfosalt units: synthesis and structure of [(C5Me4Et)3Co3AsS5]I and [(C5Me4Et)3Co3AsSe5][Cr(CO)5I]

  摘要：

  The reaction of K3AsS3 with [(CpCo)-Co-#(CO)I-2] (Cp-# =Cp* (C3Me5) or Cp-x (C5Me4Et)) in DMF at 120 degreesC gave violet [Cp-2(#) Co2As2S3] 1(#), dark brown [Cp-3(#) Co3AsS6]I 2 (#), and dark brown [Cp-3(#) Co3AsS5]I 3(#). Whereas compounds 1(#) are already known, 2(#) and 3 (#) were characterized by IR, H-1-NMR and mass spectra. A crystal structure determination of 3(Cp)(x) reveals a salt-like character with [(CP3Co3AsS5)-Co-x](+) cations and iodide in a 1:1 ratio. In the cation the three Co atoms are connected by a mu (3)-S and a mu (3)-AsS4 ligand, thus forming a distorted Co3AsS4-cube. An additional sulfur atom is inserted into one of the As-S edges. The reaction of [Cp-2(#) Co2I4] with K2As4Se6 in DMF at 120 degreesC gave the brown salts [Cp-3(#) Co3AsSe5]I 5(#)". For characterization, compound 5(Cp-x) was reacted with [Cr(CO)(5)THF]. An X-ray diffraction analysis of the resulting [(Cp3Co3AsSe5)-Co-x][Cr(CO)(5)I] 8(Cp-x) reveals a molecular structure similar to that of 3(Cp)(x), but with a [Cr(CO)(5)I]- anion. In the cation all sulfur atoms are replaced by Se atoms. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00740-9