(+)-(6S,8aR,S(S))-6-phenyl-7-(p-tolylsulfinyl)-2-tosyl-1,2,3,5,6,8a-hexahydroisoquinoline | 1211945-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+)-(6S,8aR,S(S))-6-phenyl-7-(p-tolylsulfinyl)-2-tosyl-1,2,3,5,6,8a-hexahydroisoquinoline
• 英文别名: (6S,8aR)-7-[(S)-(4-methylphenyl)sulfinyl]-2-(4-methylphenyl)sulfonyl-6-phenyl-3,5,6,8a-tetrahydro-1H-isoquinoline
• CAS: 1211945-46-8
• 化学式: C₂₉H₂₉NO₃S₂
• 分子量: 503.686
• InChiKey: PEOUYXWLCJSKMM-YGCPCXOVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 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-(buta-2,3-dienyl)-N-[5-phenyl-4-(p-tolylsulfinyl)penta-2-(E)-4-(Z)-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 30.0h， 以5 mg的产率得到(+)-(6S,8aR,S(S))-6-phenyl-7-(p-tolylsulfinyl)-2-tosyl-1,2,3,5,6,8a-hexahydroisoquinoline
  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.