dimethyl 4,4,6,6,9,9,11,11-octamethyl-5,10,17-trioxa-4,6,9,11-tetrasilapentacyclo[12.2.1.02,13.03,7.08,12]heptadeca-2(13),3(7),8(12),15-tetraene-15,16-dicarboxylate | 887503-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dimethyl 4,4,6,6,9,9,11,11-octamethyl-5,10,17-trioxa-4,6,9,11-tetrasilapentacyclo[12.2.1.02,13.03,7.08,12]heptadeca-2(13),3(7),8(12),15-tetraene-15,16-dicarboxylate
• CAS: 887503-83-5
• 化学式: C₂₂H₃₂O₇Si₄
• 分子量: 520.834
• InChiKey: UTLJROIZVONCAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  dimethyl 4,4,6,6,9,9,11,11-octamethyl-5,10,17-trioxa-4,6,9,11-tetrasilapentacyclo[12.2.1.02,13.03,7.08,12]heptadeca-2(13),3(7),8(12),15-tetraene-15,16-dicarboxylate 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90%的产率得到Dimethyl 3,3,5,5,8,8,10,10-octamethyl-4,9-dioxa-3,5,8,10-tetrasilatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene-14,15-dicarboxylate
  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， 反应 2.0h， 生成 dimethyl 4,4,6,6,9,9,11,11-octamethyl-5,10,17-trioxa-4,6,9,11-tetrasilapentacyclo[12.2.1.02,13.03,7.08,12]heptadeca-2(13),3(7),8(12),15-tetraene-15,16-dicarboxylate
  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