(-)-(6aR,9S,S(S))-9-phenyl-8-(p-tolylsulfinyl)-5-tosyl-5,6,6a,9-tetrahydrophenanthridine | 1211945-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (-)-(6aR,9S,S(S))-9-phenyl-8-(p-tolylsulfinyl)-5-tosyl-5,6,6a,9-tetrahydrophenanthridine
• 英文别名: (6aR,9S)-8-[(S)-(4-methylphenyl)sulfinyl]-5-(4-methylphenyl)sulfonyl-9-phenyl-6a,9-dihydro-6H-phenanthridine
• CAS: 1211945-43-5
• 化学式: C₃₃H₂₉NO₃S₂
• 分子量: 551.73
• InChiKey: YDOGZJUTJUQAEG-IIPSPAQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (S)-N-(2-ethynylphenyl)-N-[(2E,4Z)-5-phenyl-4-(p-tolylsulfinyl)penta-2,4-dienyl]p-tolylsulfonamide 在 2,6-二叔丁基-4-甲基苯酚 作用下， 以 甲苯 为溶剂， 反应 120.0h， 生成 (-)-(6aR,9S,S(S))-9-phenyl-8-(p-tolylsulfinyl)-5-tosyl-5,6,6a,9-tetrahydrophenanthridine 、 (6aS,9R,S(S))-9-phenyl-8-(p-tolylsulfinyl)-5-tosyl-5,6,6a,9-tetrahydrophenanthridine
  参考文献：
  名称：

  Sulfoxide-Directed Intramolecular [4 + 2] Cycloadditions between 2-Sulfinyl Butadienes and Unactivated Alkynes

  摘要：

  Sulfinyl dienynes undergo thermal and catalyzed IMDA cycloadditions, often at room temperature, to produce cyclohexa-1,4-dienes with good yields and high selectivities. Additionally, the products preserve a synthetically useful vinyl sulfoxide functionality. The selective manipulation of the double bonds in the cycloadducts has also been examined in this work.

  DOI：

  10.1021/jo9024489

文献信息

• Sulfoxide-Directed Intramolecular [4 + 2] Cycloadditions between 2-Sulfinyl Butadienes and Unactivated Alkynes
  作者：Roberto Fernández de la Pradilla、Mariola Tortosa、Esther Castellanos、Alma Viso、Raquel Baile

  DOI：10.1021/jo9024489

  日期：2010.3.5

  Sulfinyl dienynes undergo thermal and catalyzed IMDA cycloadditions, often at room temperature, to produce cyclohexa-1,4-dienes with good yields and high selectivities. Additionally, the products preserve a synthetically useful vinyl sulfoxide functionality. The selective manipulation of the double bonds in the cycloadducts has also been examined in this work.