3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 6-(4-formylphenoxy)hexanoate | 1397703-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 6-(4-formylphenoxy)hexanoate
• CAS: 1397703-88-6
• 化学式: C₄₄H₈₄O₁₆Si₈
• 分子量: 1093.83
• InChiKey: QQQJXBGHXIKXKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.74
• 重原子数：
  68
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  163
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 6-(4-formylphenoxy)hexanoate 、 对羟基苯甲醛 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以86%的产率得到3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 11-(4-formylphenoxy)undecanoate
  参考文献：
  名称：

  Design and Synthesis of Dumbbell-Shaped POSS-C₆₀Dyads with Flexible Spacer

  摘要：

  Using polyhedral oligomeric silsesquioxane (POSS) as starting material, novel dumbbell-shaped POSS-C-60 dyads with flexible spacers were designed and synthesized in good yields by esterification, subsequent etherification, and further 1,3-dipolar cycloaddition of azomethine ylide generated in situ from aldehyde and sarcosine to C-60.

  DOI：

  10.1080/00397911.2011.589562
• 作为产物：
  描述：

  6-溴己酸 在 4-二甲氨基吡啶 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl 6-(4-formylphenoxy)hexanoate
  参考文献：
  名称：

  Design and Synthesis of Dumbbell-Shaped POSS-C₆₀Dyads with Flexible Spacer

  摘要：

  Using polyhedral oligomeric silsesquioxane (POSS) as starting material, novel dumbbell-shaped POSS-C-60 dyads with flexible spacers were designed and synthesized in good yields by esterification, subsequent etherification, and further 1,3-dipolar cycloaddition of azomethine ylide generated in situ from aldehyde and sarcosine to C-60.

  DOI：

  10.1080/00397911.2011.589562

文献信息

• Design and Synthesis of Dumbbell-Shaped POSS-C₆₀Dyads with Flexible Spacer
  作者：Fafu Yang、Congcong Li、Hongyu Guo、Jinqi Ye、Ziyu Jiao

  DOI：10.1080/00397911.2011.589562

  日期：2012.12.15

  Using polyhedral oligomeric silsesquioxane (POSS) as starting material, novel dumbbell-shaped POSS-C-60 dyads with flexible spacers were designed and synthesized in good yields by esterification, subsequent etherification, and further 1,3-dipolar cycloaddition of azomethine ylide generated in situ from aldehyde and sarcosine to C-60.