1-mercuraindane | 545411-29-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1-mercuraindane
• 英文别名: 7-mercurabicyclo[4.3.0]nona-1,3,5-triene
• CAS: 545411-29-8
• 化学式: C₈H₈Hg
• 分子量: 304.742
• InChiKey: SKEXEARMRMFBOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-mercuraindane 以 氘代氯仿 为溶剂， 生成 、
  参考文献：
  名称：

  Investigations on 1‐Metallaindanes

  摘要：

  Abstract1‐Mercuraindane (6) was prepared in three steps from 1‐bromo‐2‐(2‐bromoethyl)benzene (3) and converted into 1‐magnesaindane (1) by reaction with magnesium. In solution,6was observed to occur in a remarkable dimer/trimer equilibrium, whereas1forms a dimer. From1and dichlorozirconocene, the 1‐zirconaindane2was obtained, which reacted with B(C6F5)3to form the adduct13. According to spectroscopic data,13is formed by attack of the β‐methylene carbon atom at the boron atom and has a zwitterionic structure with weak interactions between the zirconium ion and one of theortho‐fluorine atoms. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390088
• 作为产物：
  描述：

  1-bromomercurio-[2-(2-bromommercurio)ethyl]benzene 在 SnCl₂*2H₂O 作用下， 以 sodium hydroxide 、 氯仿 为溶剂， 以95%的产率得到1-mercuraindane
  参考文献：
  名称：

  Investigations on 1‐Metallaindanes

  摘要：

  Abstract1‐Mercuraindane (6) was prepared in three steps from 1‐bromo‐2‐(2‐bromoethyl)benzene (3) and converted into 1‐magnesaindane (1) by reaction with magnesium. In solution,6was observed to occur in a remarkable dimer/trimer equilibrium, whereas1forms a dimer. From1and dichlorozirconocene, the 1‐zirconaindane2was obtained, which reacted with B(C6F5)3to form the adduct13. According to spectroscopic data,13is formed by attack of the β‐methylene carbon atom at the boron atom and has a zwitterionic structure with weak interactions between the zirconium ion and one of theortho‐fluorine atoms. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390088