(E)-4-methyl-7-phenylhept-4-en-1-yn-3-ol | 1361251-77-5

• 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: (E)-4-methyl-7-phenylhept-4-en-1-yn-3-ol
• CAS: 1361251-77-5
• 化学式: C₁₄H₁₆O
• 分子量: 200.28
• InChiKey: LKTKUTSJDMCMPX-XYOKQWHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 (E)-4-methyl-7-phenylhept-4-en-1-yn-3-ol 在 二异丙胺 、 copper(I) bromide 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-methyl-8-phenylocta-1,2,5-trien-4-ol
  参考文献：
  名称：

  Chiral Silver Phosphate-Catalyzed Cycloisomeric Kinetic Resolution of α-Allenic Alcohols

  摘要：

  A kinetic resolution of a-allenic alcohols is realized through chiral silver phosphate-catalyzed cycloisomerization with high stereoselectivity (selectivity factor up to 189) and tolerance of a variety of functional groups. A mechanistic model is proposed to interpret the origin of the high stereoselectivity and broad substrate scope.

  DOI：

  10.1021/ja300453u
• 作为产物：
  描述：

  (E)-2-methyl-5-phenylpent-2-enal 、 乙炔基溴化镁 生成 (E)-4-methyl-7-phenylhept-4-en-1-yn-3-ol
  参考文献：
  名称：

  Chiral Silver Phosphate-Catalyzed Cycloisomeric Kinetic Resolution of α-Allenic Alcohols

  摘要：

  A kinetic resolution of a-allenic alcohols is realized through chiral silver phosphate-catalyzed cycloisomerization with high stereoselectivity (selectivity factor up to 189) and tolerance of a variety of functional groups. A mechanistic model is proposed to interpret the origin of the high stereoselectivity and broad substrate scope.

  DOI：

  10.1021/ja300453u