| 171369-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 171369-24-7
• 化学式: C₇₆H₉₈O₁₃
• 分子量: 1219.61
• InChiKey: YPQKCSGHRDYVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.67
• 重原子数：
  89.0
• 可旋转键数：
  36.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  130.99
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  1,3-二溴丙烷 、 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 以95%的产率得到1,3-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]-5-(3-bromopropoxy)benzene
  参考文献：
  名称：

  新型聚醚树枝状片段的合成与性能：功能性树枝状聚合物的有用构建基块

  摘要：

  第一代至第四代的聚醚树枝状分子1-4是通过收敛方法从容易获得的4-叔丁基苯酚，间苯三酚和1,3-二溴丙烷中制备的。使用涉及三个步骤迭代合成序列的单ö [GN] -OH与过量的1,3-二溴丙烷烷基化，双- ö与5- benzyloxyresorcinol得到的化合物的烷基化5然后用钯催化剂进行氢解，可以以较高的收率制备下一代更高的[G（n + 1）]-OH。这些树枝状分子具有良好的溶解性，并且在酸性和碱性介质中均呈惰性，并且在-2.0至+1.9 V范围内没有任何氧化还原行为。因此，它们是制备功能性树枝状聚合物的有用的树枝状结构单元。

  DOI：

  10.1016/0040-4020(96)00088-9
• 作为产物：
  描述：

  1-(3-溴丙氧基)-4-叔丁基苯 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 乙酸乙酯 、 丙酮 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Facile construction of acid-base and redox stable polyether-based dendritic fragments

  摘要：

  Polyether-based dendritic fragments of up to the fourth generation can be synthesized in good yields from phloroglucinol and 1,3-dibromopropane. These dendritic fragments are stable in acid-base or redox conditions and can be linked to various functional core groups to form functional dendrimers which can be served as models to study the influence of the dendritic structure on the physical, chemical and electrochemical properties of the interior core.

  DOI：

  10.1016/0040-4039(95)01860-k

文献信息

• Dendritic Bis(oxazoline)copper(II) Catalysts. 2.¹ Synthesis, Reactivity, and Substrate Selectivity
  作者：Hak-Fun Chow、Chi Ching Mak

  DOI：10.1021/jo970383s

  日期：1997.7.1

  A series of dendritic bis(oxazoline) Ligands 1-4 were synthesized to evaluate the effects of the degree of branching of a dendritic sector on both the reactivity and selectivity of their corresponding copper(II) complex-catalyzed Diels-Alder reaction between cyclopentadiene and a crotonyl imide. Kinetic studies unveiled a two-step mechanism of the Diels-Alder reaction, in which a reversible binding of the dienophile to the copper complex was followed by a rate-determining reaction between the resulting dienophile-catalyst complex with the diene. Furthermore, two interesting features emerged: first, the formation constant of the dienophile-catalyst complex decreased gradually on going from the lower to higher generations, and secondly, while the Diels-Alder reaction rate constant remained essentially the same from the zeroth to second generation catalysts, it dropped abruptly for the third generation one. These observations were rationalized as a consequence of a folding-back of the dendritic sectors toward the catalytic unit at the third generation, so that increase in steric size impeded both the reactivity and binding profiles of the catalytic system. This behavior was reminiscent of related phenomena observed by others from solvatomatic, photophysical, and viscosity studies. In line with this reasoning, a slight but noticeable substrate selectivity was observed for the third generation catalyst, which was absence for the lower ones, in competitive kinetic studies involving two dienophiles of different steric sizes.
• Chow, Hak-Fun; Chan, Ida Y.-K.; Chan, Dominic T. W., Chemistry - A European Journal, 1996, vol. 2, # 9, p. 1085 - 1091
  作者：Chow, Hak-Fun、Chan, Ida Y.-K.、Chan, Dominic T. W.、Kwok, Raymund W. M.

  DOI：——

  日期：——