3,5-Bis-(3,5-dibutoxy-benzyloxy)-benzoic acid methyl ester | 889930-57-8

• 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: 3,5-Bis-(3,5-dibutoxy-benzyloxy)-benzoic acid methyl ester
• CAS: 889930-57-8
• 化学式: C₃₈H₅₂O₈
• 分子量: 636.826
• InChiKey: HLSFSYGSUPOUHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.35
• 重原子数：
  46.0
• 可旋转键数：
  23.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3,5-Bis-(3,5-dibutoxy-benzyloxy)-benzoic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Generation-Independent Dimerization Behavior of Quadruple Hydrogen-Bond-Containing Oligoether Dendrons

  摘要：

  A new series of self-assembling G1-G3 dendronized dimers bearing oligoether dendrons and a dimeric 2-ureido-4-pyrimidinone (UPy) quadruple hydrogen-bonding core were prepared and characterized. It was found that the nonpolar microenvironment created by the dendrons preserved the UPy unit in its DDAA tautomeric form. As a result, the stabilities of the dimers were exceptionally strong for all three generations (K-dim(.) > 2 x 10(7) M-1 in CDCl3 at 25 degrees C). Furthermore, the steric size of the dendrons did not exhibit a significant effect on their dimerization behavior.

  DOI：

  10.1021/ol0603716
• 作为产物：
  描述：

  3,5-二羟基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 3,5-Bis-(3,5-dibutoxy-benzyloxy)-benzoic acid methyl ester
  参考文献：
  名称：

  Generation-Independent Dimerization Behavior of Quadruple Hydrogen-Bond-Containing Oligoether Dendrons

  摘要：

  A new series of self-assembling G1-G3 dendronized dimers bearing oligoether dendrons and a dimeric 2-ureido-4-pyrimidinone (UPy) quadruple hydrogen-bonding core were prepared and characterized. It was found that the nonpolar microenvironment created by the dendrons preserved the UPy unit in its DDAA tautomeric form. As a result, the stabilities of the dimers were exceptionally strong for all three generations (K-dim(.) > 2 x 10(7) M-1 in CDCl3 at 25 degrees C). Furthermore, the steric size of the dendrons did not exhibit a significant effect on their dimerization behavior.

  DOI：

  10.1021/ol0603716