3,3'-(1,4-phenylene)bis(2-ethoxy-2-hydroxy-1-phenylpropane-1,3-dione) | 1430218-70-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3,3'-(1,4-phenylene)bis(2-ethoxy-2-hydroxy-1-phenylpropane-1,3-dione)
• 英文别名: 2-Ethoxy-1-[4-(2-ethoxy-2-hydroxy-3-oxo-3-phenylpropanoyl)phenyl]-2-hydroxy-3-phenylpropane-1,3-dione；2-ethoxy-1-[4-(2-ethoxy-2-hydroxy-3-oxo-3-phenylpropanoyl)phenyl]-2-hydroxy-3-phenylpropane-1,3-dione
• CAS: 1430218-70-4
• 化学式: C₂₈H₂₆O₈
• 分子量: 490.51
• InChiKey: VGCSINBNLOTROX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,3'-(1,4-phenylene)bis(2-ethoxy-2-hydroxy-1-phenylpropane-1,3-dione) 120.0 ℃ 、266.64 Pa 条件下， 反应 1.0h， 以100%的产率得到3,3'-(1,4-Phenylene)bis(1-phenylpropane-1,2,3-trione)
  参考文献：
  名称：

  Synthesis and X-ray structural analysis of an acyclic bifunctional vicinal triketone, its hydrate, and its ethanol-adduct

  摘要：

  We have synthesized and fully characterized an acyclic bifunctional vicinal tricarbonyl compound, its hydrate, and its ethanol-adduct, which could be converted to one another by utilizing the reversible addition-elimination of water or ethanol. X-ray single crystal study revealed that the bistriketone expanded and contracted by 10-30% in length during the interconversion. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.065
• 作为产物：
  描述：

  乙醇 、 3,3'-(1,4-Phenylene)bis(1-phenylpropane-1,2,3-trione) 反应 0.33h， 以76%的产率得到3,3'-(1,4-phenylene)bis(2-ethoxy-2-hydroxy-1-phenylpropane-1,3-dione)
  参考文献：
  名称：

  Synthesis and X-ray structural analysis of an acyclic bifunctional vicinal triketone, its hydrate, and its ethanol-adduct

  摘要：

  We have synthesized and fully characterized an acyclic bifunctional vicinal tricarbonyl compound, its hydrate, and its ethanol-adduct, which could be converted to one another by utilizing the reversible addition-elimination of water or ethanol. X-ray single crystal study revealed that the bistriketone expanded and contracted by 10-30% in length during the interconversion. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.065

文献信息

• Synthesis and X-ray structural analysis of an acyclic bifunctional vicinal triketone, its hydrate, and its ethanol-adduct
  作者：Morio Yonekawa、Yoshio Furusho、Yoshihisa Sei、Toshikazu Takata、Takeshi Endo

  DOI：10.1016/j.tet.2013.03.065

  日期：2013.5

  We have synthesized and fully characterized an acyclic bifunctional vicinal tricarbonyl compound, its hydrate, and its ethanol-adduct, which could be converted to one another by utilizing the reversible addition-elimination of water or ethanol. X-ray single crystal study revealed that the bistriketone expanded and contracted by 10-30% in length during the interconversion. (C) 2013 Elsevier Ltd. All rights reserved.