2-pentafluorosulfanylbenzobarralene | 929893-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-pentafluorosulfanylbenzobarralene
• 英文别名: Pentafluoro(9-tricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaenyl)-lambda6-sulfane；pentafluoro(9-tricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaenyl)-λ6-sulfane
• CAS: 929893-85-6
• 化学式: C₁₂H₉F₅S
• 分子量: 280.261
• InChiKey: LDOWABAGOYCRFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-pentafluorosulfanylbenzobarralene 在 3,6-二-2-吡啶基-1,2,4,5-四嗪 作用下， 以 various solvent(s) 为溶剂， 反应 2.0h， 以65%的产率得到2-pentafluorosulfanylnaphthalene
  参考文献：
  名称：

  Synthesis of 2-pentafluorosulfanylnaphthalene

  摘要：

  A three step synthesis of 2-pentafluorosulfanylnaphthalene is reported. Initial addition of SF5Cl to benzobarralene was followed by elimination to form 2-pentafluorosulfanylbenzobarralene. Heating of this compound with 3,6-bis-(2-pyridyl)-1,2,4,5-tetrazine led to elimination of the ethylene bridge via a sequence of cycloadditions and retro-cycloadditions to form the title compound. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.123
• 作为产物：
  描述：

  1,4-乙烯桥-1,4-二氢萘 在 硫氯五氟化物 、 三乙基硼 、 sodium methylate 作用下， 以 甲醇 、 正己烷 为溶剂， 反应 85.0h， 生成 2-pentafluorosulfanylbenzobarralene
  参考文献：
  名称：

  Synthesis of 2-pentafluorosulfanylnaphthalene

  摘要：

  A three step synthesis of 2-pentafluorosulfanylnaphthalene is reported. Initial addition of SF5Cl to benzobarralene was followed by elimination to form 2-pentafluorosulfanylbenzobarralene. Heating of this compound with 3,6-bis-(2-pyridyl)-1,2,4,5-tetrazine led to elimination of the ethylene bridge via a sequence of cycloadditions and retro-cycloadditions to form the title compound. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.123

文献信息

• Synthesis of 2-pentafluorosulfanylnaphthalene
  作者：William R. Dolbier、Akira Mitani、Robin D. Warren

  DOI：10.1016/j.tetlet.2006.12.123

  日期：2007.2

  A three step synthesis of 2-pentafluorosulfanylnaphthalene is reported. Initial addition of SF5Cl to benzobarralene was followed by elimination to form 2-pentafluorosulfanylbenzobarralene. Heating of this compound with 3,6-bis-(2-pyridyl)-1,2,4,5-tetrazine led to elimination of the ethylene bridge via a sequence of cycloadditions and retro-cycloadditions to form the title compound. (c) 2006 Elsevier Ltd. All rights reserved.