1,8-bis(5,5-dimethyl-3-oxocyclohex-1-enyl)-1,7-octadiyne | 654643-86-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,8-bis(5,5-dimethyl-3-oxocyclohex-1-enyl)-1,7-octadiyne
• 英文别名: 3,3'-(Octa-1,7-diyne-1,8-diyl)bis(5,5-dimethylcyclohex-2-en-1-one)；3-[8-(5,5-dimethyl-3-oxocyclohexen-1-yl)octa-1,7-diynyl]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 654643-86-4
• 化学式: C₂₄H₃₀O₂
• 分子量: 350.501
• InChiKey: WUDZWGPIFKPZOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5,5-dimethyl-3-trifluoromethylsulfonyloxycyclohex-2-en-1-one 在 四(三苯基膦)钯 、 silver(I) iodide N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 1,8-bis(5,5-dimethyl-3-oxocyclohex-1-enyl)-1,7-octadiyne
  参考文献：
  名称：

  Pd–Ag catalyzed selective dicoupling of α-trialkylsilyl α,ω-diynes; the first one-pot synthesis of dienediynes

  摘要：

  Using Pd and Ag as catalysts, the first one-pot synthesis of dienediynes have been achieved. Sequential dicoupling reactions afforded a regioselective access to dienediynes starting from any and especially non-symmetrical alpha,omega-diynes. Good to excellent yields were obtained in dimethylformamide at room temperature. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.07.003

文献信息

• Pd–Ag catalyzed selective dicoupling of α-trialkylsilyl α,ω-diynes; the first one-pot synthesis of dienediynes
  作者：Ulla Halbes-Létinois、Patrick Pale

  DOI：10.1016/j.jorganchem.2003.07.003

  日期：2003.12

  Using Pd and Ag as catalysts, the first one-pot synthesis of dienediynes have been achieved. Sequential dicoupling reactions afforded a regioselective access to dienediynes starting from any and especially non-symmetrical alpha,omega-diynes. Good to excellent yields were obtained in dimethylformamide at room temperature. (C) 2003 Elsevier B.V. All rights reserved.