Carbon monoxide;chromium;1-phenylcyclohexan-1-ol | 470846-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Carbon monoxide;chromium;1-phenylcyclohexan-1-ol
• CAS: 470846-88-9
• 化学式: C₁₅H₁₆CrO₄
• 分子量: 312.286
• InChiKey: HXZUTNNBUQYUJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tricarbonyl(η6-chlorobenzene)chromium 、 环己酮 在 samarium diiodide 、 叔丁醇 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到Carbon monoxide;chromium;1-phenylcyclohexan-1-ol
  参考文献：
  名称：

  Radical Aromatic Substitutions on (η⁶-Chloroarene)tricarbonylchromium Complexes

  摘要：

  Successful radical aromatic substitutions on chloroarene-Cr(CO)(3) complexes were carried out by reaction with SmI2 and a carbonyl compound in THF/HMPA at -30 to -40 degreesC to afford the corresponding products in 66-89% yield. Deuterated experiments revealed that the mechanism was preferably meta-tele-substitution.

  DOI：

  10.1021/om020466l

文献信息

• Radical Aromatic Substitutions on (η⁶-Chloroarene)tricarbonylchromium Complexes
  作者：Hechun Lin、Li Yang、Chaozhong Li

  DOI：10.1021/om020466l

  日期：2002.9.1

  Successful radical aromatic substitutions on chloroarene-Cr(CO)(3) complexes were carried out by reaction with SmI2 and a carbonyl compound in THF/HMPA at -30 to -40 degreesC to afford the corresponding products in 66-89% yield. Deuterated experiments revealed that the mechanism was preferably meta-tele-substitution.