bromopalladium(1+);(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole | 862895-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bromopalladium(1+);(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
• CAS: 862895-55-4
• 化学式: C₃₀H₄₀Br₂N₂O₂Pd₂
• 分子量: 833.308
• InChiKey: DMJQZISJEBVISK-KBJOVZADSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.12
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bromopalladium(1+);(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole 、 三苯基膦 以 二氯甲烷 为溶剂， 以98%的产率得到bromopalladium(1+);(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole;triphenylphosphane
  参考文献：
  名称：

  Palladacycle as highly efficient catalyst for ring opening of oxabicyclic alkenes with organozinc halides

  摘要：

  Ring opening reaction of oxabicylic alkenes 4 with in situ prepared organozinc halides 5 was catalyzed by palladacycle 3 with high efficiency. Good yields of the corresponding 1,2-dihydronaphth-1-ols (6) were provided when as low as 0.05 mol% of palladacycle 3 was used. P-31 NMR study showed that the skeleton of 3 remained intact in the reaction, which implied that palladacycle 3 did not serve as a catalyst precursor but a catalyst in the reaction. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.12.039