2-allyloxy-3-hydroxymethyl-5-tert-butylbenzaldehyde | 952677-13-3

• 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: 2-allyloxy-3-hydroxymethyl-5-tert-butylbenzaldehyde
• 英文别名: 5-Tert-butyl-3-(hydroxymethyl)-2-prop-2-enoxybenzaldehyde
• CAS: 952677-13-3
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: BQQDPVKNTIFENW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-allyloxy-3-hydroxymethyl-5-tert-butylbenzaldehyde 在 palladium diacetate 甲酸 、 氯化亚砜 、 potassium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 19.75h， 生成 (R)-2,2'-bis(2-hydroxy-3-formyl-5-tert-butyl-benzyloxy)-1,1'-binaphthalene
  参考文献：
  名称：

  Synthesis and conformational aspects of 20- and 40-membered macrocyclic mono and dinuclear uranyl complexes incorporating salen and (R)-BINOL units

  摘要：

  20- and 40-membered macrocyclic mono and dinuclear uranyl complexes 11-13 incorporating salen and (R)-BINOL units have been designed and synthesized starting from 4-tert-butylphenol in eight steps. NMR measurements (COSY, NOESY/EXSY) indicate that such complexes in solution are involved in conformational equilibria, which for the 20- membered derivatives are observable already at room temperature (k(1)=300 s(-1) at 300 K) and which are probably related to a flipping motion of salicylaldehyde units. T-ROESY experiments suggest that in solution, the dinuclear complexes do not assume structures wrapped around the metal ions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.014
• 作为产物：
  描述：

  4-叔丁基苯酚 在 manganese(IV) oxide 、 sodium hydroxide 、 potassium carbonate 作用下， 以 氯仿 、 水 、 乙腈 为溶剂， 反应 177.5h， 生成 2-allyloxy-3-hydroxymethyl-5-tert-butylbenzaldehyde
  参考文献：
  名称：

  Synthesis and conformational aspects of 20- and 40-membered macrocyclic mono and dinuclear uranyl complexes incorporating salen and (R)-BINOL units

  摘要：

  20- and 40-membered macrocyclic mono and dinuclear uranyl complexes 11-13 incorporating salen and (R)-BINOL units have been designed and synthesized starting from 4-tert-butylphenol in eight steps. NMR measurements (COSY, NOESY/EXSY) indicate that such complexes in solution are involved in conformational equilibria, which for the 20- membered derivatives are observable already at room temperature (k(1)=300 s(-1) at 300 K) and which are probably related to a flipping motion of salicylaldehyde units. T-ROESY experiments suggest that in solution, the dinuclear complexes do not assume structures wrapped around the metal ions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.014