3-[1-Hydroxy-1-(4-methylphenyl)ethyl]chromen-2-one | 1202929-36-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-[1-Hydroxy-1-(4-methylphenyl)ethyl]chromen-2-one
• 英文别名: 3-[1-hydroxy-1-(4-methylphenyl)ethyl]chromen-2-one
• CAS: 1202929-36-9
• 化学式: C₁₈H₁₆O₃
• 分子量: 280.323
• InChiKey: QOFSERYTUWTWCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-formylphenyl but-2-ynoate 、 4-甲苯硼酸 在 [Pd(dppp)(H₂O)2]⁽²⁺⁾*2(OTf)^(1-) 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以74%的产率得到3-[1-Hydroxy-1-(4-methylphenyl)ethyl]chromen-2-one
  参考文献：
  名称：

  Control of Chemoselectivity by Counteranions of Cationic Palladium Complexes: A Convenient Enantioselective Synthesis of Dihydrocoumarins

  摘要：

  High chemoselectivity for the synthesis of two kinds of substituted coumarins controlled by the counteranions of the cationic palladium catalysts is described. The asymmetric version of the reaction for the synthesis of 3-alkylldene dihydrocoumarins is realized with high enantioselectivity.

  DOI：

  10.1021/ol902538n

文献信息

• Control of Chemoselectivity by Counteranions of Cationic Palladium Complexes: A Convenient Enantioselective Synthesis of Dihydrocoumarins
  作者：Xiuling Han、Xiyan Lu

  DOI：10.1021/ol902538n

  日期：2010.1.1

  High chemoselectivity for the synthesis of two kinds of substituted coumarins controlled by the counteranions of the cationic palladium catalysts is described. The asymmetric version of the reaction for the synthesis of 3-alkylldene dihydrocoumarins is realized with high enantioselectivity.