2,4-dioxo-3-pentyl 4-hydroxycinnamate | 684283-72-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2,4-dioxo-3-pentyl 4-hydroxycinnamate
• 英文别名: 2,4-dioxopentan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
• CAS: 684283-72-5
• 化学式: C₁₄H₁₄O₅
• 分子量: 262.262
• InChiKey: ZYVKKJHWSYZAIT-UHFFFAOYSA-N

物化性质

• 沸点：
  426.9±45.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  80.67
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-decyloxybenzoyl chloride 、 2,4-dioxo-3-pentyl 4-hydroxycinnamate 以 苯 为溶剂， 反应 16.0h， 生成 2,4-dioxo-3-pentyl 4-[[4-(n-decyloxy)-benzoyl] oxy] cinnamate
  参考文献：
  名称：

  Synthesis and mesomorphic properties of γ-substituted β-diketones and their dicarbonylrhodium(I) complexes

  摘要：

  Five series of 3-(C10H21O-Ph-X-Ph-Y-) substituted pentane-2,4-diones and their dicarbonylrhodium(l) complexes, namely, series 1: X = -CH=CHCOO- and Y = -COO-, series 2: X -CH=CHCOO- and Y = -CH=CHCOO-, series 3: X = -COO- and Y = -CH=CHCOO-, series 4: X = -CH2O- and Y -COO-, series 5: X = -N=N- and Y = -COO-, have been synthesized, their mesogenic properties have been investigated using a Nikon polarizing microscope and DSC. It is found the beta-diketones 1a-3a, 5a and the complexes 1b-3b exhibit liquid crystal behaviors. The effect of the bridging groups of X and Y on the mesogenic properties of the ligands and the complexes has been explored. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00146-3
• 作为产物：
  描述：

  对羟基肉桂酸 、 3-氯-2,4-戊二酮 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 2,4-dioxo-3-pentyl 4-hydroxycinnamate
  参考文献：
  名称：

  Synthesis and mesomorphic properties of γ-substituted β-diketones and their dicarbonylrhodium(I) complexes

  摘要：

  Five series of 3-(C10H21O-Ph-X-Ph-Y-) substituted pentane-2,4-diones and their dicarbonylrhodium(l) complexes, namely, series 1: X = -CH=CHCOO- and Y = -COO-, series 2: X -CH=CHCOO- and Y = -CH=CHCOO-, series 3: X = -COO- and Y = -CH=CHCOO-, series 4: X = -CH2O- and Y -COO-, series 5: X = -N=N- and Y = -COO-, have been synthesized, their mesogenic properties have been investigated using a Nikon polarizing microscope and DSC. It is found the beta-diketones 1a-3a, 5a and the complexes 1b-3b exhibit liquid crystal behaviors. The effect of the bridging groups of X and Y on the mesogenic properties of the ligands and the complexes has been explored. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00146-3