1,3-bis(4-ethoxyphenyl)propane-1,3-dione | 52751-62-9

• 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: 1,3-bis(4-ethoxyphenyl)propane-1,3-dione
• CAS: 52751-62-9
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: KUSWKIHZHQDPDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  holmium(III) chloride hexahydrate 、 1,3-bis(4-ethoxyphenyl)propane-1,3-dione 、 甲苯 在 triethylamine 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以18%的产率得到[Ho5(OH)5(1,3-bis(4-ethoxyphenyl)propane-1,3-dionate)10]*4toluene
  参考文献：
  名称：

  Functionalised β-diketonate polynuclear lanthanoid hydroxo clusters: Synthesis, characterisation, and magnetic properties

  摘要：

  The controlled hydrolysis of lanthanoid trichloride hexahydrate (Ln = Nd, Eu, Ho) in methanol with the beta-diketone ligands dibenzoylmethane and 1,3-bis(4-ethoxyphenyl)propane-1,3-dione yielded tetranuclear and pentanuclear hydroxo clusters for Eu and Ho. In contrast, performing the reaction in the presence of 1,3-bis(4-methoxyphenyl)propane-1,3-dione yielded a mononuclear complex for Nd. The compounds were structurally characterised by means of single crystal X-ray diffraction, showing that the increased bulkiness of the ligand due to the ethoxy functionalities does not affect the capability of the diketonate to stabilize the cluster core. Variable temperature dc susceptibility magnetic measurements were made on the Clusters and were indicative of very weak to zero antiferromagnetic, intra-cluster Coupling. Variable frequency ac data recorded at low temperatures did not show any evidence for single molecule magnet (SMM) behaviour. unlike the recent reported case of the analogue [Dy-5(OH)(5)(Ph(2)acac)(10)], where Ph(2)acac(-) is the dibenzoylmethanide ligand. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.03.031
• 作为产物：
  描述：

  对乙氧基苯甲酸乙酯 、 4-乙氧基苯乙酮 在 sodium hydride 作用下， 以89%的产率得到1,3-bis(4-ethoxyphenyl)propane-1,3-dione
  参考文献：
  名称：

  Ohta, Kazuchika; Muroki, Hiromitsu; Hatada, Koh-Ichi, Molecular Crystals and Liquid Crystals (1969-1991), 1986, vol. 140, p. 163 - 178

  摘要：

  DOI：

文献信息

• Ohta, Kazuchika; Muroki, Hiromitsu; Takagi, Akira, Molecular Crystals and Liquid Crystals (1969-1991), 1986, vol. 140, p. 131 - 152
  作者：Ohta, Kazuchika、Muroki, Hiromitsu、Takagi, Akira、Hatada, Koh-Ichi、Ema, Hiroshi、et al.

  DOI：——

  日期：——
• US6448304B1
  申请人：——

  公开号：US6448304B1

  公开（公告）日：2002-09-10
• Ohta, Kazuchika; Muroki, Hiromitsu; Hatada, Koh-Ichi, Molecular Crystals and Liquid Crystals (1969-1991), 1986, vol. 140, p. 163 - 178
  作者：Ohta, Kazuchika、Muroki, Hiromitsu、Hatada, Koh-Ichi、Takagi, Akira、Ema, Hiroshi、et al.

  DOI：——

  日期：——
• Functionalised β-diketonate polynuclear lanthanoid hydroxo clusters: Synthesis, characterisation, and magnetic properties
  作者：Philip C. Andrews、Tobias Beck、Benjamin H. Fraser、Peter C. Junk、Massimiliano Massi、Boujemaa Moubaraki、Keith S. Murray、Morry Silberstein

  DOI：10.1016/j.poly.2009.03.031

  日期：2009.7

  The controlled hydrolysis of lanthanoid trichloride hexahydrate (Ln = Nd, Eu, Ho) in methanol with the beta-diketone ligands dibenzoylmethane and 1,3-bis(4-ethoxyphenyl)propane-1,3-dione yielded tetranuclear and pentanuclear hydroxo clusters for Eu and Ho. In contrast, performing the reaction in the presence of 1,3-bis(4-methoxyphenyl)propane-1,3-dione yielded a mononuclear complex for Nd. The compounds were structurally characterised by means of single crystal X-ray diffraction, showing that the increased bulkiness of the ligand due to the ethoxy functionalities does not affect the capability of the diketonate to stabilize the cluster core. Variable temperature dc susceptibility magnetic measurements were made on the Clusters and were indicative of very weak to zero antiferromagnetic, intra-cluster Coupling. Variable frequency ac data recorded at low temperatures did not show any evidence for single molecule magnet (SMM) behaviour. unlike the recent reported case of the analogue [Dy-5(OH)(5)(Ph(2)acac)(10)], where Ph(2)acac(-) is the dibenzoylmethanide ligand. (C) 2009 Elsevier Ltd. All rights reserved.