5-tert-butyl-3-(5-tert-butyl-2-hydroxybenzyl)-2-hydroxybenzaldehyde | 1407968-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-tert-butyl-3-(5-tert-butyl-2-hydroxybenzyl)-2-hydroxybenzaldehyde
• CAS: 1407968-88-0
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.463
• InChiKey: VIGKVQLPXMBIAD-UHFFFAOYSA-N

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：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  57.53
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-tert-butyl-3-(5-tert-butyl-2-hydroxybenzyl)-2-hydroxybenzaldehyde 在 仲丁基锂 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 52.0h， 生成
  参考文献：
  名称：

  Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms

  摘要：

  Synthetic approaches to mixed ligand chelators on readily available tert-butylphenol-formaldehyde oligomer, PFO, scaffolds were examined. In a promising approach, tris and tetraphenol oligomers were selectively mono or di protected using tert-butyldiphenyl silyl chloride. The utility of these protected intermediates to prepare representative mixed PFO chelators, carrying ligands such as hydroxamic acid, 3,2-hydroxypyridinones, and others was then demonstrated. The introduction of the ligand tethers onto the phenolic scaffold can be done sequentially under relatively mild conditions that tolerate the presence of other sensitive ligand groups. The differential reactivity of the disilyl derivative 20b, allowed stepwise introduction of two different ligands on the internal phenolic positions. This enabled the introduction of three different ligand groups of choice onto the tetraphenol platform. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.032
• 作为产物：
  描述：

  聚合甲醛 、 2,2’-亚甲基双(4-(1,1-二甲基乙基)苯酚 在 三乙胺 、 magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 72.17h， 以46%的产率得到5-tert-butyl-3-(5-tert-butyl-2-hydroxybenzyl)-2-hydroxybenzaldehyde
  参考文献：
  名称：

  Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms

  摘要：

  Synthetic approaches to mixed ligand chelators on readily available tert-butylphenol-formaldehyde oligomer, PFO, scaffolds were examined. In a promising approach, tris and tetraphenol oligomers were selectively mono or di protected using tert-butyldiphenyl silyl chloride. The utility of these protected intermediates to prepare representative mixed PFO chelators, carrying ligands such as hydroxamic acid, 3,2-hydroxypyridinones, and others was then demonstrated. The introduction of the ligand tethers onto the phenolic scaffold can be done sequentially under relatively mild conditions that tolerate the presence of other sensitive ligand groups. The differential reactivity of the disilyl derivative 20b, allowed stepwise introduction of two different ligands on the internal phenolic positions. This enabled the introduction of three different ligand groups of choice onto the tetraphenol platform. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.032