7-Fluoro-1,4-dihydroxy-2-(1-hydroxy-ethyl)-anthraquinone | 200861-10-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 7-Fluoro-1,4-dihydroxy-2-(1-hydroxy-ethyl)-anthraquinone
• 英文别名: 7-fluoro-1,4-dihydroxy-2-(1-hydroxyethyl)anthracene-9,10-dione
• CAS: 200861-10-5
• 化学式: C₁₆H₁₁FO₅
• 分子量: 302.259
• InChiKey: ZMUVKCKFEZXMST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-Fluoro-1,4-dihydroxy-2-(1-hydroxy-ethyl)-anthraquinone 在 盐酸 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 98.0h， 生成 4-Amino-cyclohexanecarboxylic acid 1-(7-fluoro-1,4-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-ethyl ester; hydrochloride
  参考文献：
  名称：

  The synthesis of anthraquinone derivatives as potential anticancer agents

  摘要：

  The simple anthracycline analogues 3a-c were synthesized as potential anticancer agents. Anodic oxidation of the phenol derivative 4, phthalide anion annelation of p-quinone monoacetals 5 and selective attachment of the side chain were the three key steps towards these target compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10195-8
• 作为产物：
  描述：

  7-Fluoro-1-hydroxy-4-methoxy-2-[1-(methoxymethoxy)ethyl]anthracene-9,10-dione 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到7-Fluoro-1,4-dihydroxy-2-(1-hydroxy-ethyl)-anthraquinone
  参考文献：
  名称：

  The synthesis of anthraquinone derivatives as potential anticancer agents

  摘要：

  The simple anthracycline analogues 3a-c were synthesized as potential anticancer agents. Anodic oxidation of the phenol derivative 4, phthalide anion annelation of p-quinone monoacetals 5 and selective attachment of the side chain were the three key steps towards these target compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10195-8