2,4-di-O-methylpurpurin | 6199-13-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2,4-di-O-methylpurpurin
• 英文别名: 1-hydroxy-2,4-dimethoxy-anthraquinone；1-Hydroxy-2,4-dimethoxy-anthrachinon；1-Hydroxy-2,4-dimethoxyanthracene-9,10-dione
• CAS: 6199-13-9
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: MWFFFNJIOJTNNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-acetoxy-2,4-dimethoxy-anthraquinone 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.33h， 以90%的产率得到2,4-di-O-methylpurpurin
  参考文献：
  名称：

  Simple Synthesis of Mono- and Bismethyl Ethers of Purpurin (1,2,4-Trihydroxyanthraquinone)

  摘要：

  从紫红素（1,2,4-三羟基蒽醌）出发，合成了所有可能的单甲基醚和双甲基醚的异构体。

  DOI：

  10.1055/s-1991-26486

文献信息

• Perkin; Storey, Journal of the Chemical Society, 1928, p. 243
  作者：Perkin、Storey

  DOI：——

  日期：——
• [EN] COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES<br/>[FR] COMPOSITIONS ET PROCÉDÉS ASSOCIÉS À DES OXYDES DISSOUS
  申请人：NATURAL EXTRACTION SYS LLC

  公开号：WO2021042001A1

  公开（公告）日：2021-03-04

  Various aspects of this patent document relate to compositions that comprise an anion that is the conjugate base of a hydrophobic molecule that has a pKa, for example, of at least 7 and no greater than 12. These compositions display improved properties when formulated to interact with an organism because the anions carry negative charges that allows them to both dissolve in water-miscible liquids and maximize their surface area. Interaction with an organism results in at least partial conversion of the anion into the hydrophobic molecule after which the hydrophobic molecule partitions out of a water-miscible liquid and into the organism.
• Simple Synthesis of Mono- and Bismethyl Ethers of Purpurin (1,2,4-Trihydroxyanthraquinone)
  作者：Pietro Allevi、Mario Anastasia、Alberto Fiecchi、Anna Maria Sanvito、Antonio Scala

  DOI：10.1055/s-1991-26486

  日期：——

  All possible isomers of mono- and bismethyl ethers of purpurin (1,2,4-trihydroxyanthraquinone) were synthesized starting from purpurin.

  从紫红素（1,2,4-三羟基蒽醌）出发，合成了所有可能的单甲基醚和双甲基醚的异构体。