| 1393803-88-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1393803-88-7
• 化学式: C₁₀H₁₆O₄
• 分子量: 200.235
• InChiKey: IRZKGVYEUSRVPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (+/-)-4-methylpent-4-en-1,3-diol 、 丙烯酸甲酯（MA） 在 氧气 、 palladium diacetate 、 copper(l) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 56.0h， 以24%的产率得到
  参考文献：
  名称：

  Domino reaction: Pd(II)-catalyzed cyclization of unsaturated polyols and cross-coupling

  摘要：

  The Pd-catalyzed cyclization and cross-coupling of hydroxylated alkenes in domino reactions are described. The alkenols undergo Pd-catalyzed cyclization and subsequent cross-coupling reactions with aryl bromides to afford (poly)hydroxylated tetrahydrofuran derivatives. The relationship between the stereoselectivity of the transformation and the steric and/or electronic effects of the substrates has also been studied. The diastereoselectivity of the cyclization of gamma-hydroxyalkenes 1.4-6 is influenced by the allylic hydroxyl functionality in favor of 2,3-cis stereoselectivity. Substitution at the C-1 carbon in alkenitols 7 and 8 ensured the formation of products with 2,5-trans diastereoselectivity (up to >19:1), independent of additional substituents. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2012.05.020