| 889930-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 889930-56-7
• 化学式: C₈₁H₁₀₇N₃O₁₄
• 分子量: 1346.75
• InChiKey: RSVBYPLSMCYMHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  98.0
• 可旋转键数：
  52.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  177.98
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以91%的产率得到3,5-Bis-[3,5-bis-(3,5-dibutoxy-benzyloxy)-benzyloxy]-benzylamine
  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-Bis-[3,5-bis-(3,5-dibutoxy-benzyloxy)-benzyloxy]-phenyl}-methanol 在 sodium azide 、 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成
  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