4,4,5,5-tetramethyl-2-[4-(8-bromooctyloxyphenyl)]-1,3,2-dioxaborolane | 1443358-73-3

• 英文名称: 4,4,5,5-tetramethyl-2-[4-(8-bromooctyloxyphenyl)]-1,3,2-dioxaborolane
• CAS: 1443358-73-3
• 化学式: C₂₀H₃₂BBrO₃
• 分子量: 411.187
• InChiKey: CXNVHEDLCPBPBN-UHFFFAOYSA-N

物化性质

• 沸点：
  479.9±30.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethyl-2-[4-(8-bromooctyloxyphenyl)]-1,3,2-dioxaborolane 、 4-((7-([2,2'-bipyridin]-5-yl)heptyl)oxy)phenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以58%的产率得到5-(7-(4-((8-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)octyl)oxy)phenoxy)heptyl)-2,2'-bipyridine
  参考文献：
  名称：

  Allosteric regulation of the ligand-binding ability of Zn–porphyrin by metal complexation

  摘要：

  Zn-porphyrin with bipyridyl units at the ends of a conjugated chain, in addition to two alkyl side chains, was prepared as an artificial allosteric system. The axial ligand-binding ability of the compound was considerably reduced by the formation of a Fe(bpy)(3)-type complex. The degree of the allosteric suppression strongly depended on both alkyl chain length and the steric demand of the pyridyl ligand. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.130
• 作为产物：
  描述：

  1,8-二溴辛烷 、 4-羟基苯硼酸频哪醇酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到4,4,5,5-tetramethyl-2-[4-(8-bromooctyloxyphenyl)]-1,3,2-dioxaborolane
  参考文献：
  名称：

  Allosteric regulation of the ligand-binding ability of Zn–porphyrin by metal complexation

  摘要：

  Zn-porphyrin with bipyridyl units at the ends of a conjugated chain, in addition to two alkyl side chains, was prepared as an artificial allosteric system. The axial ligand-binding ability of the compound was considerably reduced by the formation of a Fe(bpy)(3)-type complex. The degree of the allosteric suppression strongly depended on both alkyl chain length and the steric demand of the pyridyl ligand. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.130