cis-diethyl 1-phenyl-6-octen-1-yne-4,4-dicarboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: cis-diethyl 1-phenyl-6-octen-1-yne-4,4-dicarboxylate
• 英文别名: diethyl 2-[(Z)-but-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate
• 化学式: C₂₀H₂₄O₄
• 分子量: 328.408
• InChiKey: QTTBTWJHCBHLEI-DAXSKMNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-溴-2-丁烯 、 diethyl 2-(3-phenylprop-2-yn-1-yl)malonate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 trans-diethyl 1-phenyl-6-octen-1-yne-4,4-dicarboxylate 、 cis-diethyl 1-phenyl-6-octen-1-yne-4,4-dicarboxylate
  参考文献：
  名称：

  The rhodium-catalyzed Pauson–Khand reaction

  摘要：

  A rhodium carbonyl complex, [RhCl(CO)(2)](2), serves as a catalyst of the intra- and inter-molecular Pauson-Khand reaction. By the use of the rhodium catalyst, cyclopentenone derivatives are prepared from various 1,6- and 1,7-enynes under 1 arm of CO. Furthermore, this rhodium-catalyzed reaction is accelerated by reducing partial pressure of CO to less than 1 atm. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00835-4

文献信息

• The rhodium-catalyzed Pauson–Khand reaction
  作者：Toshitake Kobayashi、Yuji Koga、Koichi Narasaka

  DOI：10.1016/s0022-328x(00)00835-4

  日期：2001.4

  A rhodium carbonyl complex, [RhCl(CO)(2)](2), serves as a catalyst of the intra- and inter-molecular Pauson-Khand reaction. By the use of the rhodium catalyst, cyclopentenone derivatives are prepared from various 1,6- and 1,7-enynes under 1 arm of CO. Furthermore, this rhodium-catalyzed reaction is accelerated by reducing partial pressure of CO to less than 1 atm. (C) 2001 Elsevier Science B.V. All rights reserved.