4-methyl-5-phenyl-2,4-pentadien-1-ol | 1113051-85-6

• 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: 4-methyl-5-phenyl-2,4-pentadien-1-ol
• 英文别名: 4-Methyl-5-phenylpenta-2,4-dien-1-ol；4-methyl-5-phenylpenta-2,4-dien-1-ol
• CAS: 1113051-85-6
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: CDTFCONWMIQNCH-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C
• 沸点：
  290.7±9.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  diiron nonacarbonyl 、 4-methyl-5-phenyl-2,4-pentadien-1-ol 以 苯 为溶剂， 以90%的产率得到tricarbonyl(4-methyl-5-phenyl-2,4-pentadien-1-ol)iron
  参考文献：
  名称：

  1,2-和1,4-二取代的三羰基（戊二烯基）铁（+1）阳离子的合成以及与杂原子亲核试剂的反应

  摘要：

  Tricarbonyl(1,2-dimethylpentadienyl)iron(+1) (3a), tricarbonyl(2-methyl-1-phenylpentadienyl)iron(+1) (3b),tricarbonyl(1,4-dimethylpentadienyl)iron(+1) (4a),and tricarbonyl(4-methyl-1-phenylpentadienyl)iron(+1) (4b) were prepared as their hexafluorophosphate salts by the dehydration of the appropriately substituted dienol complexes. The reaction of each cation with methanol and with triphenylphosphine proceeds with excellent regioselectivity to afford the corresponding methyl ethers and phosphonium salts, respectively. The reduction of each cation with sodium cyanoborohydride was also examined. Only for cation 3b was good regioselectivity observed; the other cations gave mixtures of diene complexes.

  DOI：

  10.1021/om00028a035

文献信息

• Synthesis of 1,2- and 1,4-disubstituted tricarbonyl(pentadienyl)iron(+1) cations and reactions with heteroatom nucleophiles
  作者：William A. Donaldson、Myung Jong Jin、Peter T. Bell

  DOI：10.1021/om00028a035

  日期：1993.4

  Tricarbonyl(1,2-dimethylpentadienyl)iron(+1) (3a), tricarbonyl(2-methyl-1-phenylpentadienyl)iron(+1) (3b),tricarbonyl(1,4-dimethylpentadienyl)iron(+1) (4a),and tricarbonyl(4-methyl-1-phenylpentadienyl)iron(+1) (4b) were prepared as their hexafluorophosphate salts by the dehydration of the appropriately substituted dienol complexes. The reaction of each cation with methanol and with triphenylphosphine proceeds with excellent regioselectivity to afford the corresponding methyl ethers and phosphonium salts, respectively. The reduction of each cation with sodium cyanoborohydride was also examined. Only for cation 3b was good regioselectivity observed; the other cations gave mixtures of diene complexes.