1-(5-氯-2-羟基-4-甲苯)-3-苯基-1,3-丙二酮 | 5067-23-2

• 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
• 中文名称: 1-(5-氯-2-羟基-4-甲苯)-3-苯基-1,3-丙二酮
• 中文别名: 1-(5-氯-2-羟基-4-甲基苯基)-3-苯基-1,3-丙二酮
• 英文名称: 1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione
• 英文别名: 1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenylpropane-1,3-dione
• CAS: 5067-23-2
• 化学式: C₁₆H₁₃ClO₃
• 分子量: 288.73
• InChiKey: XNOUEBNIOPXNAO-UHFFFAOYSA-N

物化性质

• 熔点：
  120-123 °C(lit.)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-(5-氯-2-羟基-4-甲苯)-3-苯基-1,3-丙二酮 在 copper dichloride 作用下， 以 乙醇 为溶剂， 反应 0.08h， 以96%的产率得到6-氯-7-甲基黄酮
  参考文献：
  名称：

  微波辅助合成功能性黄酮和色酮

  摘要：

  描述了一种通过1-（2-羟基芳基）-3-芳基-1,3-丙二酮的环化来简便地合成功能化黄酮和色酮的方法。

  DOI：

  10.1016/j.tetlet.2005.07.038

文献信息

• Reinvestigation of prototropic photochromism: 3-benzoyl-2-benzylchromones
  作者：V Rossollin、V Lokshin、A Samat、R Guglielmetti

  DOI：10.1016/s0040-4020(03)01211-0

  日期：2003.9

  The synthesis of a series of new nine 3-benzoyl-2-benzylchromones is developed through a classical and an optimized Kostanecki-Robinson method involving an o-hydroxyphenyl-beta-diketone and an acid anhydride. The different spectrokinetic studies carried out in solution and in polymer matrixes have highlighted the main structure/photochromic parameters relationships and the influence of the medium on the photochromic properties. (C) 2003 Elsevier Ltd. All rights reserved.
• New and facile synthesis of 3-styrylflavones
  作者：Vladimir Lokshin、Arnault Heynderickx、André Samat、Gérard Pèpe、Robert Guglielmetti

  DOI：10.1016/s0040-4039(99)01301-5

  日期：1999.9

  A simple synthetic access to 3-styrylflavones is developed through the reaction of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones with phenylacetic aldehydes. The structure of parent compound is confirmed by X-ray analysis. (C) 1999 Elsevier Science Ltd. All rights reserved.
• LUMINESCENT DIKETONATE POLYMERS
  申请人：Fraser Cassandra L.

  公开号：US20090137057A1

  公开（公告）日：2009-05-28

  The present invention provides in one aspect polymeric luminescent dye compounds having fluorescent properties, phosphorescent properties, or both fluorescent and phosphorescent properties.
• COMPOSITIONS AND METHODS FOR MAKING AND USING OXYGEN SENSING NANOFIBERS AND SCAFFOLDS
  申请人：University of Virginia Patent Foundation

  公开号：US20160041177A1

  公开（公告）日：2016-02-11

  To address the need for scaffold-based oxygen concentration monitoring, a single-component, self-referenced oxygen sensor was made into nanofibers. Electrospinning process parameters were tuned to produce a biomaterial scaffold with specific morphological features. The ratio of an oxygen sensitive phosphorescence signal to an oxygen insensitive fluorescence signal was calculated at each image pixel to determine an oxygenation value. A single component boron dye-polymer conjugate was chosen for additional investigation due to improved resistance to degradation in aqueous media compared to a dye polymer blend. Standardization curves show that in fully supplemented media, the fibers are responsive to dissolved oxygen concentrations less than 15 parts per million. Spatial and temporal ratiometric gradients were observed in vitro radiating outward from the center of a dense adherent cell grouping. Sensor activation in ischemia and cell transplant models in vivo show oxygenation decreases on the scale of minutes.
• US6461417B1
  申请人：——

  公开号：US6461417B1

  公开（公告）日：2002-10-08