4,4,6,6,9,9,11,11-octamethyl-5,10,25-trioxa-4,6,9,11-tetrasilaheptacyclo[12.10.1.02,13.03,7.08,12.015,24.017,22]pentacosa-2(13),3(7),8(12),15,17,19,21,23-octaene | 887503-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 4,4,6,6,9,9,11,11-octamethyl-5,10,25-trioxa-4,6,9,11-tetrasilaheptacyclo[12.10.1.02,13.03,7.08,12.015,24.017,22]pentacosa-2(13),3(7),8(12),15,17,19,21,23-octaene
• CAS: 887503-86-8
• 化学式: C₂₆H₃₂O₃Si₄
• 分子量: 504.88
• InChiKey: NJYUQPPWXDNHFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4,6,6,9,9,11,11-octamethyl-5,10,25-trioxa-4,6,9,11-tetrasilaheptacyclo[12.10.1.02,13.03,7.08,12.015,24.017,22]pentacosa-2(13),3(7),8(12),15,17,19,21,23-octaene 在 lithium aluminium tetrahydride 、 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以69%的产率得到16,16,18,18,21,21,23,23-Octamethyl-17,22-dioxa-16,18,21,23-tetrasilahexacyclo[12.10.0.03,12.05,10.015,19.020,24]tetracosa-1,3,5,7,9,11,13,15(19),20(24)-nonaene
  参考文献：
  名称：

  Oxadisilole-Fused Isobenzofurans. Synthesis and Characterization of Oxadisilole-Substituted Acenes

  摘要：

  Mono- and bis-oxadisilole-fused isobenzofurans were first synthesized and isolated. A series of mono-, bis-, and tris-oxadisilole-substituted acenes were then synthesized by benzyne Diels-Alder reactions with the isobenzofurans. The photophysical, redox, and thermal properties of these new acenes were characterized.

  DOI：

  10.1021/jo060099d
• 作为产物：
  描述：

  1,3,4,6,7,9-hexasila-1,1,3,3,4,4,6,6,7,7,9,9-dodecamethyl-2,5,8-trioxatrindane 在 三氟甲磺酸 、 碘苯二乙酸 、 3,6-二-2-吡啶基-1,2,4,5-四嗪 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 生成 4,4,6,6,9,9,11,11-octamethyl-5,10,25-trioxa-4,6,9,11-tetrasilaheptacyclo[12.10.1.02,13.03,7.08,12.015,24.017,22]pentacosa-2(13),3(7),8(12),15,17,19,21,23-octaene
  参考文献：
  名称：

  Oxadisilole-Fused Isobenzofurans. Synthesis and Characterization of Oxadisilole-Substituted Acenes

  摘要：

  Mono- and bis-oxadisilole-fused isobenzofurans were first synthesized and isolated. A series of mono-, bis-, and tris-oxadisilole-substituted acenes were then synthesized by benzyne Diels-Alder reactions with the isobenzofurans. The photophysical, redox, and thermal properties of these new acenes were characterized.

  DOI：

  10.1021/jo060099d