bromo-cyclopenta-1,3-dien-1-yl-methoxyborane;bromo-cyclopenta-2,4-dien-1-yl-methoxyborane;iron(2+) | 934672-99-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: bromo-cyclopenta-1,3-dien-1-yl-methoxyborane;bromo-cyclopenta-2,4-dien-1-yl-methoxyborane;iron(2+)
• CAS: 934672-99-8
• 化学式: C₁₂H₁₄B₂Br₂FeO₂
• 分子量: 427.519
• InChiKey: LQHJHXRPJWKHKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二丁醚 、 bromo-cyclopenta-1,3-dien-1-yl-methoxyborane;bromo-cyclopenta-2,4-dien-1-yl-methoxyborane;iron(2+) 、 苯基锂 以 二丁醚 、 甲苯 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li⁺ Cation

  摘要：

  In order to explore whether benzene or ferrocene presents a more attractive pi face to Li+ ions, the lithium tetraorganylborate Li[BFc(2)Ph(2)] has been synthesized, which contains two phenyl rings as well as two ferrocenyl substituents as potential coordination sites (Fc = (C5H5)Fe(C5H4)). The compound crystallizes from toluene/dibutyl ether as the contact ion pair [Li(OBu2)][BFc(2)Ph(2)], with the Li+ ion located between the two borylated ferrocenyl cyclopentadienyl rings. This finding indicates ferrocene to be a stronger Li+ binder than benzene. In line with this conclusion, the hexaphenyl derivative [(Li(OBu2))(2)][1,1'-fc(BPh3)(2)] was found to have each of its cyclopentadienyl substituents coordinated to one Li+ ion, thereby forming a multiple-decker sandwich complex in the solid state (fc = (C5H4)(2)Fe).

  DOI：

  10.1021/om061117k
• 作为产物：
  描述：

  1,1'-bis(dibromoboryl)ferrocene 、 甲氧基三甲基硅烷 以 正戊烷 为溶剂， 以98%的产率得到bromo-cyclopenta-1,3-dien-1-yl-methoxyborane;bromo-cyclopenta-2,4-dien-1-yl-methoxyborane;iron(2+)
  参考文献：
  名称：

  Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li⁺ Cation

  摘要：

  In order to explore whether benzene or ferrocene presents a more attractive pi face to Li+ ions, the lithium tetraorganylborate Li[BFc(2)Ph(2)] has been synthesized, which contains two phenyl rings as well as two ferrocenyl substituents as potential coordination sites (Fc = (C5H5)Fe(C5H4)). The compound crystallizes from toluene/dibutyl ether as the contact ion pair [Li(OBu2)][BFc(2)Ph(2)], with the Li+ ion located between the two borylated ferrocenyl cyclopentadienyl rings. This finding indicates ferrocene to be a stronger Li+ binder than benzene. In line with this conclusion, the hexaphenyl derivative [(Li(OBu2))(2)][1,1'-fc(BPh3)(2)] was found to have each of its cyclopentadienyl substituents coordinated to one Li+ ion, thereby forming a multiple-decker sandwich complex in the solid state (fc = (C5H4)(2)Fe).

  DOI：

  10.1021/om061117k