Spiro[indene-2,7'-pentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),10,12,15,17,19-octaene]-1,3,14',21'-tetrone | 1476048-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: Spiro[indene-2,7'-pentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),10,12,15,17,19-octaene]-1,3,14',21'-tetrone
• CAS: 1476048-36-8
• 化学式: C₂₉H₁₆O₄
• 分子量: 428.444
• InChiKey: GZEUTNAGNAOERN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  14-Oxaheptacyclo[16.12.0.03,16.05,13.07,12.020,29.022,27]triaconta-1,3(16),5(13),7,9,11,17,22,24,26-decaene-6,21,28-trione 在 manganese(IV) oxide 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以51%的产率得到Spiro[indene-2,7'-pentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),10,12,15,17,19-octaene]-1,3,14',21'-tetrone
  参考文献：
  名称：

  Diversity Oriented Approach to Oxepine Derivatives: Further Expansion via Diels‒Alder Reaction

  摘要：

  Oxepine derivatives have been assembled via Diels-Alder (DA) reaction as a key step and the latent dienes suitable for the DA reaction have been generated in situ from the sultine derivatives, which in turn were achieved by using commercially available rongalite. The "drug like" molecules assembled here may find useful applications in medicinal as well as bioorganic chemistry.

  DOI：

  10.3987/com-14-s(k)21

文献信息

• Diversity-Oriented Approach to Novel Spirocyclics via Enyne Metathesis, Diels-Alder Reaction, and a [2+2+2] Cycloaddition as Key Steps
  作者：Sambasivarao Kotha、Rashid Ali、Arti Tiwari

  DOI：10.1055/s-0033-1339489

  日期：——

  A simple protocol for the synthesis of indane-based spirocyclics has been developed via enyne metathesis, Diels–Alder reaction, and a [2+2+2] cycloaddition as key steps starting from indane-1,3-dione. The key diene building block was assembled by enyne metathesis. In this sequence, rongalite is used as a green reagent to prepare the sultine intermediate, which is a useful precursor to generate the

  已经通过烯炔复分解、Diels-Alder 反应和 [2+2+2] 环加成作为从茚满-1,3-二酮开始的关键步骤开发了合成茚满基螺环化合物的简单方案。关键的二烯构件是通过烯炔复分解组装的。在这个序列中，Rongalite 被用作绿色试剂来制备亚磺酸中间体，这是生成瞬态二烯的有用前体。