| 1228438-15-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1228438-15-0
• 化学式: C₁₇H₂₂O₅
• 分子量: 306.359
• InChiKey: TUAUMCSMTBVVFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  一氧化碳 、 在 di(rhodium)tetracarbonyl dichloride 作用下， 以 甲苯 为溶剂， 80.0~90.0 ℃ 、20.27 kPa 条件下， 反应 47.0h， 以21%的产率得到
  参考文献：
  名称：

  Rh(I)-Catalyzed [(3 + 2) + 1] Cycloaddition of 1-Yne/Ene-vinylcyclopropanes and CO: Homologous Pauson−Khand Reaction and Total Synthesis of (±)-α-Agarofuran

  摘要：

  A novel Rh(I)-catalyzed [(3 + 2) + 1] cycloaddition, which can be regarded as a homologous Pauson-Khand reaction, was developed to synthesize bicyclic cyclohexenones and cyclohexanones, enabling a new approach for synthesis of six-membered carbocycles ubiquitously found in natural products and pharmaceutics. The significance of the Rh-catalyzed [(3 + 2) + 1] cycloaddition has been demonstrated by the total synthesis of a furanoid sesquiterpene natural product, a-agarofuran, in which the bicyclic skeleton was constructed by the [(3 + 2) + 1] reaction of 1-yne-VCP and CO.

  DOI：

  10.1021/ol100625e