(1R,3E,4S)-1,7,7-trimethyl-3-[phenyl-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methylidene]bicyclo[2.2.1]heptan-2-one | 1198776-14-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,3E,4S)-1,7,7-trimethyl-3-[phenyl-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methylidene]bicyclo[2.2.1]heptan-2-one
• CAS: 1198776-14-5
• 化学式: C₂₇H₃₄O₂
• 分子量: 390.566
• InChiKey: ZYGTYLWVZFVQIH-QLZAZAFDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1R,3E,4S)-1,7,7-trimethyl-3-[phenyl-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methylidene]bicyclo[2.2.1]heptan-2-one 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of the first C2-asymmetric phosphinine and its pyrylium precursor

  摘要：

  The synthesis of the first C-2 chiral phosphinine (phosphabenzene) and its pyrylium salt precursor is reported. The chiral phosphinine is derived from (+)-camphor, is a crystalline air-stable solid and is shown to effectively form complexes with metals. A preliminary result using the phosphinine as a ligand for asymmetric catalysis is reported and rationalized structurally. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.08.085
• 作为产物：
  描述：

  (+)-(E)-3-(α-chlorobenzylidene)camphor 、 白樟油 在 potassium hydride 作用下， 以 正己烷 为溶剂， 以68%的产率得到(1R,3E,4S)-1,7,7-trimethyl-3-[phenyl-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methylidene]bicyclo[2.2.1]heptan-2-one
  参考文献：
  名称：

  Synthesis of the first C2-asymmetric phosphinine and its pyrylium precursor

  摘要：

  The synthesis of the first C-2 chiral phosphinine (phosphabenzene) and its pyrylium salt precursor is reported. The chiral phosphinine is derived from (+)-camphor, is a crystalline air-stable solid and is shown to effectively form complexes with metals. A preliminary result using the phosphinine as a ligand for asymmetric catalysis is reported and rationalized structurally. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.08.085