(1S,2R,15S,16R)-19,19,21,21,24,24,26,26-octamethyl-20,25,29-trioxa-19,21,24,26-tetrasilaoctacyclo[14.12.1.02,15.03,8.09,14.017,28.018,22.023,27]nonacosa-3,5,7,9,11,13,17(28),18(22),23(27)-nonaene | 935509-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (1S,2R,15S,16R)-19,19,21,21,24,24,26,26-octamethyl-20,25,29-trioxa-19,21,24,26-tetrasilaoctacyclo[14.12.1.02,15.03,8.09,14.017,28.018,22.023,27]nonacosa-3,5,7,9,11,13,17(28),18(22),23(27)-nonaene
• CAS: 935509-12-9
• 化学式: C₃₀H₃₆O₃Si₄
• 分子量: 556.956
• InChiKey: FLBODYVZAHUFFO-MNHALERFSA-N

物化性质

• 沸点：
  521.3±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  37
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  (1S,2R,15S,16R)-19,19,21,21,24,24,26,26-octamethyl-20,25,29-trioxa-19,21,24,26-tetrasilaoctacyclo[14.12.1.02,15.03,8.09,14.017,28.018,22.023,27]nonacosa-3,5,7,9,11,13,17(28),18(22),23(27)-nonaene 在 三氟化硼-二甲醚络合物 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以53%的产率得到1,2:3,4-二苯并蒽
  参考文献：
  名称：

  Synthesis and characterization of oxadisilole fused benzo[b]triphenylene

  摘要：

  Palladium-catalyzed [2+2+2] cyclotrimerization reactions between benzyne and oxadisilole fused oxabicyclic alkenes afforded the exo-adducts. Deoxygenation with BF3 center dot OMe2 yielded mono- and bis-oxadisilole fused benzo[b]triphenylene. The photophysical properties of the oxadisilole fused benzo[b]triphenylenes were characterized. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.01.174
• 作为产物：
  描述：

  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 、 2-(三甲基硅)苯基三氟甲烷磺酸盐 在 bis-triphenylphosphine-palladium(II) chloride cesium fluoride 作用下， 以 乙腈 为溶剂， 以85%的产率得到(1S,2R,15S,16R)-19,19,21,21,24,24,26,26-octamethyl-20,25,29-trioxa-19,21,24,26-tetrasilaoctacyclo[14.12.1.02,15.03,8.09,14.017,28.018,22.023,27]nonacosa-3,5,7,9,11,13,17(28),18(22),23(27)-nonaene
  参考文献：
  名称：

  Synthesis and characterization of oxadisilole fused benzo[b]triphenylene

  摘要：

  Palladium-catalyzed [2+2+2] cyclotrimerization reactions between benzyne and oxadisilole fused oxabicyclic alkenes afforded the exo-adducts. Deoxygenation with BF3 center dot OMe2 yielded mono- and bis-oxadisilole fused benzo[b]triphenylene. The photophysical properties of the oxadisilole fused benzo[b]triphenylenes were characterized. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.01.174