2,2-dimethyl-1-phenyltridec-4-yn-3-yl methyl carbonate | 880085-54-1

• 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: 2,2-dimethyl-1-phenyltridec-4-yn-3-yl methyl carbonate
• 英文别名: (2,2-Dimethyl-1-phenyltridec-4-yn-3-yl) methyl carbonate
• CAS: 880085-54-1
• 化学式: C₂₃H₃₄O₃
• 分子量: 358.521
• InChiKey: ZFHIQQHLCZOHKN-UHFFFAOYSA-N

物化性质

• 沸点：
  450.5±45.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-1-phenyltridec-4-yn-3-yl methyl carbonate 、 反式-苯乙烯三氟硼酸钾 在 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 以84%的产率得到(E)-6,6-dimethyl-3-octyl-1,7-diphenyl-1,3,4-heptatriene
  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 2,2-dimethyl-1-phenyltridec-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