(3aR,6S,S(S))-6-n-butyl-5-(p-tolyl-N-tosylsulfoximinoyl)-1,3,3a,6-tetrahydroisobenzofuran | 1211945-56-0

• 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: (3aR,6S,S(S))-6-n-butyl-5-(p-tolyl-N-tosylsulfoximinoyl)-1,3,3a,6-tetrahydroisobenzofuran
• 英文别名: N-[[(3aR,6R)-6-butyl-1,3,3a,6-tetrahydro-2-benzofuran-5-yl]-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide；N-[[(3aR,6R)-6-butyl-1,3,3a,6-tetrahydro-2-benzofuran-5-yl]-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
• CAS: 1211945-56-0
• 化学式: C₂₆H₃₁NO₄S₂
• 分子量: 485.668
• InChiKey: ULOUKOOOOCFRBD-DMKAJISASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  89.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [(N-tosylimino)iodo]benzene 、 (-)-(S)-4-oxa-8-(p-tolylsulfinyl)-6-(E)-8-(Z)-tridecadien-1-yne 在 cuprous triflate 作用下， 以 乙腈 为溶剂， 生成 (-)-(S)-7-methyl-4-oxa-9-phenyl-8-(p-tolylsulfinyl)-6-(E)-8-(Z)-nonadien-1-yne 、 (3aR,6S,S(S))-6-n-butyl-5-(p-tolyl-N-tosylsulfoximinoyl)-1,3,3a,6-tetrahydroisobenzofuran 、 (3aS,6R,S(S))-6-n-butyl-5-(p-tolyl-N-tosylsulfoximinoyl)-1,3,3a,6-tetrahydroisobenzofuran
  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.