9-hydroxy-2,2-dimethyl-1-phenylnon-4-yn-3-yl methyl carbonate | 880085-61-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 9-hydroxy-2,2-dimethyl-1-phenylnon-4-yn-3-yl methyl carbonate
• 英文别名: (9-Hydroxy-2,2-dimethyl-1-phenylnon-4-yn-3-yl) methyl carbonate
• CAS: 880085-61-0
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: NQBXNYWTMZDOHL-UHFFFAOYSA-N

物化性质

• 沸点：
  437.9±45.0 °C(Predicted)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-hydroxy-2,2-dimethyl-1-phenylnon-4-yn-3-yl methyl carbonate 在 四(三苯基膦)钯 、 碳酸氢钠 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 10.0h， 生成 8,8-dimethyl-9-phenyl-5-vinylnona-5,6-dienal
  参考文献：
  名称：

  Palladium(0)-Catalyzed Synthesis of Chiral Ene-allenes Using Alkenyl Trifluoroborates

  摘要：

  [GRAPHICS]Enantioenriched allenes serve as chiral transfer reagents, making them attractive synthetic targets. Herein, the synthesis of enantioenriched allenes utilizing a Pd(O)-catalyzed cross-coupling reaction of propargylic carbonates and phosphates with alkenyl trifluoroborates is reported. Di-, tri-, and tetrasubstituted allenes were synthesized in moderate to high optical yields. Several racemic allenes possessing various functional groups were also synthesized.

  DOI：

  10.1021/jo052201x
• 作为产物：
  描述：

  2,2-二甲基-3-苯基丙腈 在 正丁基锂 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 9-hydroxy-2,2-dimethyl-1-phenylnon-4-yn-3-yl methyl carbonate
  参考文献：
  名称：

  Palladium(0)-Catalyzed Synthesis of Chiral Ene-allenes Using Alkenyl Trifluoroborates

  摘要：

  [GRAPHICS]Enantioenriched allenes serve as chiral transfer reagents, making them attractive synthetic targets. Herein, the synthesis of enantioenriched allenes utilizing a Pd(O)-catalyzed cross-coupling reaction of propargylic carbonates and phosphates with alkenyl trifluoroborates is reported. Di-, tri-, and tetrasubstituted allenes were synthesized in moderate to high optical yields. Several racemic allenes possessing various functional groups were also synthesized.

  DOI：

  10.1021/jo052201x

文献信息

• Palladium(0)-Catalyzed Synthesis of Chiral Ene-allenes Using Alkenyl Trifluoroborates
  作者：Gary A. Molander、Erin M. Sommers、Sharon R. Neufeldt

  DOI：10.1021/jo052201x

  日期：2006.2.17

  [GRAPHICS]Enantioenriched allenes serve as chiral transfer reagents, making them attractive synthetic targets. Herein, the synthesis of enantioenriched allenes utilizing a Pd(O)-catalyzed cross-coupling reaction of propargylic carbonates and phosphates with alkenyl trifluoroborates is reported. Di-, tri-, and tetrasubstituted allenes were synthesized in moderate to high optical yields. Several racemic allenes possessing various functional groups were also synthesized.