2-hydroxy-3,5,6-trimethoxybenzaldehyde | 65162-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hydroxy-3,5,6-trimethoxybenzaldehyde
• 英文别名: 3,5,6-Trimethoxy-salicylaldehyd
• CAS: 65162-30-3
• 化学式: C₁₀H₁₂O₅
• 分子量: 212.202
• InChiKey: ISEOCFIVBAFENL-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C
• 沸点：
  352.6±37.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3,5,6-trimethoxybenzaldehyde 在 platinum(IV) oxide 、 氢气 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.5h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of hydrophilic embelin derivatives

  摘要：

  In continuance of our search for newer anti-cancer agents we were interested on embelin, a XIAP (X-linked inhibitor of apoptosis protein) inhibitor. This natural benzoquinone bear a lipophilic chain and we report here the synthesis of hydrophilic analogues of embelin. To allow a large flexibility in the nature of the hydrophilic group, three amines with different length of carbon chain bearing a protected benzoquinone were prepared. The cytotoxic effects of these derivatives were evaluated on KB cell line. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.024
• 作为产物：
  描述：

  2,4,5-三甲氧基苯甲醛 在 间氯过氧苯甲酸 、 三氟乙酸 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 2-hydroxy-3,5,6-trimethoxybenzaldehyde
  参考文献：
  名称：

  Synthesis and biological evaluation of hydrophilic embelin derivatives

  摘要：

  In continuance of our search for newer anti-cancer agents we were interested on embelin, a XIAP (X-linked inhibitor of apoptosis protein) inhibitor. This natural benzoquinone bear a lipophilic chain and we report here the synthesis of hydrophilic analogues of embelin. To allow a large flexibility in the nature of the hydrophilic group, three amines with different length of carbon chain bearing a protected benzoquinone were prepared. The cytotoxic effects of these derivatives were evaluated on KB cell line. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.024

文献信息

• Light Activation for the Versatile and Accurate Kinetic Analysis of Disassembly of Self-Immolative Spacers
  作者：Ahmed Alouane、Raphaël Labruère、Thomas Le Saux、Isabelle Aujard、Sylvie Dubruille、Frédéric Schmidt、Ludovic Jullien

  DOI：10.1002/chem.201301298

  日期：2013.8.26

  introduced to accurately analyze the disassembly kinetics of a collection of self‐immolative spacer groups within the window 10−2–103 s. Our results are relevant for deriving quantitative structure–property relationships. In particular, we have been able to access 20 ms temporal resolution, which made possible the measurement of the shortest ever reported disassembly time for an activated self‐immolative

  引入了三种依赖于光活化的程序来准确分析窗口10 -2 –10 3  s内自消灭性间隔基集合的分解动力学。我们的结果与得出定量的结构-性质关系有关。特别是，我们已经能够获得20 ms的时间分辨率，这使得有可能测量所报告的最短时间的激活的自焚垫片的拆卸时间。