5,5',5'',5'''-((((((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrakis(1,3-dibutoxybenzene) | 889930-55-6

• 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: 5,5',5'',5'''-((((((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrakis(1,3-dibutoxybenzene)
• CAS: 889930-55-6
• 化学式: C₈₁H₁₀₇BrO₁₄
• 分子量: 1384.64
• InChiKey: YONODGFBLOMBOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.49
• 重原子数：
  96.0
• 可旋转键数：
  51.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  129.22
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  5,5',5'',5'''-((((((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrakis(1,3-dibutoxybenzene) 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以95%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-Bis-[3,5-bis-(3,5-dibutoxy-benzyloxy)-benzyloxy]-phenyl}-methanol 在 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以93%的产率得到5,5',5'',5'''-((((((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrakis(1,3-dibutoxybenzene)
  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