α,α'-bis[3,5-bis-[[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene | 1253181-81-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: α,α'-bis[3,5-bis-[[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene
• 英文别名: α,α'-bis[3,5-bis-[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenoxy]-m-xylene；[3-[[3-[[3-[[3,5-Bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]methoxy]-5-(hydroxymethyl)phenyl]methanol；[3-[[3-[[3-[[3,5-bis[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]methoxy]-5-(hydroxymethyl)phenyl]methanol
• CAS: 1253181-81-5
• 化学式: C₅₆H₅₈O₁₄
• 分子量: 955.068
• InChiKey: SLMQLQPGKWTKGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  70
• 可旋转键数：
  26
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  217
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  8-dioxane-3-cobalt-bis(1,2-dicarbollide) 、 α,α'-bis[3,5-bis-[[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene 、 cesium chloride 在 potassium tert-butoxide 作用下， 以 二甲基亚砜 为溶剂， 以47%的产率得到
  参考文献：
  名称：

  Decorating Poly(alkyl aryl-ether) Dendrimers with Metallacarboranes

  摘要：

  A new family of polyanionic poly(alkyl aryl-ether) metallodendrimers decorated with four and eight cobaltabisdicarbollide units have been obtained in high yield by the ring-opening reaction of cyclic oxonium [3,3'-Co(8-(C2H4O)(2)-1,2-C2B9H10)-(1',2'-C2B9H11 )] with alkoxides formed by deprotonation of terminal alcohols in the alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-p-xylene, alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-m-xylene, alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene and alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]-phenoxy]-m-xylene dendrimers. The crystal structure of the precursor alpha,alpha'-bis[3,5-bis(chloromethyl)phenoxy]-p-xylene is also described. Final products are fully characterized by FTIR, NMR, UV vis spectroscopies and elemental analysis. For metallodendrimers, the UV vis absorptions have been a good tool for estimating the experimental number of cobaltabisdicarbollide units peripherally attached to the dendrimeric structure and consequently to corroborate the complete functionalization of the dendrimers.

  DOI：

  10.1021/ic101306w
• 作为产物：
  描述：

  3,5-二(羟甲基)苯酚 、 α,α'-bis[3,5-bis(chloromethyl)phenoxy]-m-xylene 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 96.0h， 以77%的产率得到α,α'-bis[3,5-bis-[[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene
  参考文献：
  名称：

  Decorating Poly(alkyl aryl-ether) Dendrimers with Metallacarboranes

  摘要：

  A new family of polyanionic poly(alkyl aryl-ether) metallodendrimers decorated with four and eight cobaltabisdicarbollide units have been obtained in high yield by the ring-opening reaction of cyclic oxonium [3,3'-Co(8-(C2H4O)(2)-1,2-C2B9H10)-(1',2'-C2B9H11 )] with alkoxides formed by deprotonation of terminal alcohols in the alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-p-xylene, alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-m-xylene, alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene and alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]-phenoxy]-m-xylene dendrimers. The crystal structure of the precursor alpha,alpha'-bis[3,5-bis(chloromethyl)phenoxy]-p-xylene is also described. Final products are fully characterized by FTIR, NMR, UV vis spectroscopies and elemental analysis. For metallodendrimers, the UV vis absorptions have been a good tool for estimating the experimental number of cobaltabisdicarbollide units peripherally attached to the dendrimeric structure and consequently to corroborate the complete functionalization of the dendrimers.

  DOI：

  10.1021/ic101306w