bis(1,2,4-triisopropylcyclopentadienyl)chromium(II) | 211811-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bis(1,2,4-triisopropylcyclopentadienyl)chromium(II)
• 英文别名: chromium(2+);1,3,5-tri(propan-2-yl)cyclopenta-1,3-diene
• CAS: 211811-36-8
• 化学式: C₂₈H₄₆Cr
• 分子量: 434.669
• InChiKey: AHIMREQYAUHIKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.55
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  chromium dichloride 、 2,3,5-triisopropyl cyclopentadiene potassium 以 四氢呋喃 为溶剂， 以78%的产率得到bis(1,2,4-triisopropylcyclopentadienyl)chromium(II)
  参考文献：
  名称：

  Synthesis and characterization of chromocenes containing bulky cyclopentadienyl ligands

  摘要：

  Two equivalents of K[Cp'] (Cp' = C-5(i-Pr)(3)H-2, C-5(i-Pr)(4)H, C-5(t-Bu)(2)H-3) react with CrCl2 in THF to give the corresponding chromocenes, Cp-2'Cr, in good yield. Despite the presence of bulky substituents on the rings that could affect their properties, the complexes are extremely air- and moisture-sensitive, and possess a low-spin ground state. The low-spin paramagnetic nature of each chromocene was confirmed by magnetic susceptibility measurements. The solid-state structure of [C-5(i-Pr)(3)H-2](2)Cr was obtained using single crystal X-ray analysis. It displays rigorously parallel rings, with an average Cr-C(ring) distance of 2.17(1)Angstrom; the chromium resides on a crystallographically imposed inversion center. The orientation of the isopropyl groups minimizes unfavorable steric interactions between the rings. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00485-9