1-isopropenyl-2-pent-1-ynylcyclopentene | 861819-68-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 1-isopropenyl-2-pent-1-ynylcyclopentene
• 英文别名: 1-Pent-1-ynyl-2-prop-1-en-2-ylcyclopentene；1-pent-1-ynyl-2-prop-1-en-2-ylcyclopentene
• CAS: 861819-68-3
• 化学式: C₁₃H₁₈
• 分子量: 174.286
• InChiKey: ARRDQJYBQZZDBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-isopropenyl-2-pent-1-ynylcyclopentene 、 cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 以 氘代氯仿 为溶剂， 生成 [(η5-C5H5)Ru(η6-C6H2(CH2)3(CH3)(n-C3H7))](1+)
  参考文献：
  名称：

  An η⁶-Dienyne Transition-Metal Complex

  摘要：

  The ruthenium complexes, [(eta5-C5R5)Ru(CH3CN)3]PF6 (1-Cp*, R = Me; 1-Cp, R = H), underwent reaction with both 1-(2-chloro-1-methylvinyl)-2-pentynyl-(Z)-cyclopentene (6-Z) and 1-(2-chloro-1-methylvinyl)-2-pentynyl-(E)-cyclopentene (6-E) to give (eta5-C5R5)Ru[eta6-(5-chloro-4-methyl-6-propylindan)]PF6 (7-Cp*, R = Me; 7-Cp, R = H). In a similar fashion, reaction of 1-Cp and 1-Cp* with 1-isopropenyl-2-pent-1-ynylcyclopentene (8) led to the formation of (eta5-C5R5)Ru(eta6-4-methyl-6-propylindan)]PF6 (9-Cp*, R = Me; 9-Cp, R = H). The reaction of 1-Cp* with 8 at -60 degrees C in CDCl3 solution led to observation of the eta6-dienyne complex, (eta5-C5Me5)Ru[eta6-(1-isopropenyl-2-pent-1-ynylcyclopentene)]PF6 (10), by 1H NMR spectroscopy. Complexes 7-Cp and 10 were characterized by X-ray crystallographic analysis.

  DOI：

  10.1021/ja042272y
• 作为产物：
  描述：

  1-(2-pent-1-ynylcylopent-1-enyl)ethanone 、 甲基三苯基溴化膦 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 16.0h， 以84%的产率得到1-isopropenyl-2-pent-1-ynylcyclopentene
  参考文献：
  名称：

  An η⁶-Dienyne Transition-Metal Complex

  摘要：

  The ruthenium complexes, [(eta5-C5R5)Ru(CH3CN)3]PF6 (1-Cp*, R = Me; 1-Cp, R = H), underwent reaction with both 1-(2-chloro-1-methylvinyl)-2-pentynyl-(Z)-cyclopentene (6-Z) and 1-(2-chloro-1-methylvinyl)-2-pentynyl-(E)-cyclopentene (6-E) to give (eta5-C5R5)Ru[eta6-(5-chloro-4-methyl-6-propylindan)]PF6 (7-Cp*, R = Me; 7-Cp, R = H). In a similar fashion, reaction of 1-Cp and 1-Cp* with 1-isopropenyl-2-pent-1-ynylcyclopentene (8) led to the formation of (eta5-C5R5)Ru(eta6-4-methyl-6-propylindan)]PF6 (9-Cp*, R = Me; 9-Cp, R = H). The reaction of 1-Cp* with 8 at -60 degrees C in CDCl3 solution led to observation of the eta6-dienyne complex, (eta5-C5Me5)Ru[eta6-(1-isopropenyl-2-pent-1-ynylcyclopentene)]PF6 (10), by 1H NMR spectroscopy. Complexes 7-Cp and 10 were characterized by X-ray crystallographic analysis.

  DOI：

  10.1021/ja042272y