bis[(3',5'-dibenzyloxy)benzyloxy]bromomalonate | 190518-53-7

• 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: bis[(3',5'-dibenzyloxy)benzyloxy]bromomalonate
• 英文别名: Bis[[3,5-bis(phenylmethoxy)phenyl]methyl] 2-bromopropanedioate；bis[[3,5-bis(phenylmethoxy)phenyl]methyl] 2-bromopropanedioate
• CAS: 190518-53-7
• 化学式: C₄₅H₃₉BrO₈
• 分子量: 787.704
• InChiKey: YPSLGEMWECTXRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  844.2±60.0 °C(Predicted)
• 密度：
  1.330±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  54
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  18,36:22,23:27,45:31,32:55,56-pentakis-[bis(ethoxycarbonyl)methano]-18,36,22,23,27,45,31,32,55,56-decahydro[60]fullerene 、 bis[(3',5'-dibenzyloxy)benzyloxy]bromomalonate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 72.0h， 以69%的产率得到C66(COOEt)10(COOG1)2
  参考文献：
  名称：

  Dendritic Mixed Hexakisadducts of C60 with aTh Symmetrical Addition Pattern

  摘要：

  DOI：

  10.1002/(sici)1099-0690(200001)2000:1<171::aid-ejoc171>3.0.co;2-b
• 作为产物：
  描述：

  3,5-二苄氧基苯甲醇 在 吡啶 、 四溴化碳 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 bis[(3',5'-dibenzyloxy)benzyloxy]bromomalonate
  参考文献：
  名称：

  The C60 Core: A Versatile Tecton for Dendrimer Chemistry

  摘要：

  AbstractThe synthesis, complete characterization and molecular dynamics simulations of dendrimers 4–8 involving [60]fullerene as core tecton and first‐ to thirdgeneration benzyl‐ether‐based dendrons as branches is described. In dendrimer 7 a core branching multiplicity of 12, the highest known to date, is realized for the first time with a Th‐symmetrical C60 core having an octahedral addition pattern. This unique structural type of core building block is only possible on the base of C60 and has no precedent in organic chemistry. NMR investigations as well as molecular modelling studies show that, owing to high core branching multiplicity, dendrimer 7 and to a minor extent the mixed adduct 8 already represent globular and densely packed macromolecules, although only first‐generation dendrons are involved in their construction.

  DOI：

  10.1002/chem.19970030411

文献信息

• The C60 Core: A Versatile Tecton for Dendrimer Chemistry
  作者：Xavier Camps、Hubert Schönberger、Andreas Hirsch

  DOI：10.1002/chem.19970030411

  日期：1997.4

  AbstractThe synthesis, complete characterization and molecular dynamics simulations of dendrimers 4–8 involving [60]fullerene as core tecton and first‐ to thirdgeneration benzyl‐ether‐based dendrons as branches is described. In dendrimer 7 a core branching multiplicity of 12, the highest known to date, is realized for the first time with a Th‐symmetrical C60 core having an octahedral addition pattern. This unique structural type of core building block is only possible on the base of C60 and has no precedent in organic chemistry. NMR investigations as well as molecular modelling studies show that, owing to high core branching multiplicity, dendrimer 7 and to a minor extent the mixed adduct 8 already represent globular and densely packed macromolecules, although only first‐generation dendrons are involved in their construction.
• Dendritic Mixed Hexakisadducts of C60 with aTh Symmetrical Addition Pattern
  作者：Andrea Herzog、Andreas Hirsch、Otto Vostrowsky

  DOI：10.1002/(sici)1099-0690(200001)2000:1<171::aid-ejoc171>3.0.co;2-b

  日期：2000.1