(2E,13E)-10,21-Bis-(toluene-4-sulfonyl)-10,21-diaza-tricyclo[17.3.0.0^8,12]docosa-1(19),2,8(12),13-tetraene | 477977-18-7

• 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: (2E,13E)-10,21-Bis-(toluene-4-sulfonyl)-10,21-diaza-tricyclo[17.3.0.0^8,12]docosa-1(19),2,8(12),13-tetraene
• 英文别名: (2E,13E)-10,21-bis-(4-methylphenyl)sulfonyl-10,21-diazatricyclo[17.3.0.08,12]docosa-1(19),2,8(12),13-tetraene
• CAS: 477977-18-7
• 化学式: C₃₄H₄₂N₂O₄S₂
• 分子量: 606.85
• InChiKey: JDWOTLDLYWETMO-MYUCQOFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙烯 、 (2E,13E)-10,21-Bis-(toluene-4-sulfonyl)-10,21-diaza-tricyclo[17.3.0.0^8,12]docosa-1(19),2,8(12),13-tetraene 在 ruthenium carbene complex 作用下， 以 甲苯 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 以39%的产率得到2-(toluene-4-sulfonyl)-1,2,3,4,5,6-hexahydro-cyclohepta[c]pyrrole
  参考文献：
  名称：

  Ruthenium-Catalyzed ROM−RCM of Cycloalkene-yne

  摘要：

  graphicROM-RCM (ring-opening and ring-closing metatheses) of cycloalkene-yne was demonstrated using a second-generation ruthenium complex. When cycloalkene bearing the alkyne moiety at the C-1 position was reacted with a ruthenium-carbene complex under an atmosphere of ethylene, ROM-RCM proceeded smoothly to give bicyclic compound and/or dimeric compound in good yields.

  DOI：

  10.1021/ol026696d
• 作为产物：
  描述：

  Cyclohex-1-enylmethyl-prop-2-ynyl-amine 在 second generation ruthenium carbene 吡啶 、 乙烯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 生成 (2E,13E)-10,21-Bis-(toluene-4-sulfonyl)-10,21-diaza-tricyclo[17.3.0.0^8,12]docosa-1(19),2,8(12),13-tetraene
  参考文献：
  名称：

  ROM-RCM of cycloalkene-yne

  摘要：

  Ring-opening metathesis and ring-closing metathesis (ROM-RCM) of cycloalkene-yne was demonstrated using a first- or second-generation ruthenium complex. When cycloalkenes bearing the alkyne part at the C-3 position were reacted with a first-generation ruthenium-carbene complex under an atmosphere of ethylene, ROM-RCM proceeded smoothly to give skeletal reorganized products in good yields. In this reaction, cycloalkene-ynes having terminal alkyne were suitable. On the other hand, when cycloalkenes bearing the alkyne part at the C-1 position were treated with a second-generation ruthenium-carbene complex, ROM-RCM proceeded smoothly to give bicyclic compounds and/or dimeric compounds in good yields. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.05.030