| 1236459-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1236459-53-2
• 化学式: C₂₅H₂₆O₆S
• 分子量: 454.544
• InChiKey: OBGOCDVJRIIFJM-PQYZAJHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 samarium diiodide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以21%的产率得到
  参考文献：
  名称：

  Chemoenzymatic and enantioselective assembly of the (1α,3aβ,6α,7aβ)-octahydro-1,6-methano-1H-indene framework associated with 2-isocyanoallopupukeanane: validation of a new synthetic strategy and the identification of enantiomeric switching regimes

  摘要：

  The octahydro-1,6-methano-1H-indene framework associated with the marine sesquiterpenoid 2-isocyanoallopupukeanane (1) has been prepared in enantiomerically pure form from the cis-1,2-dihydrocatechol 8 using Diels-Alder cycloaddition, oxa-di-pi-methane rearrangement and intramolecular enolate alkylation steps as the key bond-forming events. Three distinct strategies for employing such sequences in the selective synthesis of either enantiomeric form of the target framework have been identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.056
• 作为产物：
  描述：

  、 苯甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  Chemoenzymatic and enantioselective assembly of the (1α,3aβ,6α,7aβ)-octahydro-1,6-methano-1H-indene framework associated with 2-isocyanoallopupukeanane: validation of a new synthetic strategy and the identification of enantiomeric switching regimes

  摘要：

  The octahydro-1,6-methano-1H-indene framework associated with the marine sesquiterpenoid 2-isocyanoallopupukeanane (1) has been prepared in enantiomerically pure form from the cis-1,2-dihydrocatechol 8 using Diels-Alder cycloaddition, oxa-di-pi-methane rearrangement and intramolecular enolate alkylation steps as the key bond-forming events. Three distinct strategies for employing such sequences in the selective synthesis of either enantiomeric form of the target framework have been identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.056