2,5,6,7,8-pentafluoro-2-[2-hydroxyethyl(methyl)amino]-1,4-dihydronaphthalene-1,4-dione | 1221948-48-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,5,6,7,8-pentafluoro-2-[2-hydroxyethyl(methyl)amino]-1,4-dihydronaphthalene-1,4-dione
• 英文别名: 2-[2-hydroxyethyl(methyl)amino]-3,5,6,7,8-pentafluoro-1,4-naphthoquinone；2-methyl(2'-hydroxyethyl)amino-3,5,6,7,8-pentafluoro-1,4-naphthoquinone；2,5,6,7,8-Pentafluoro-3-[2-hydroxyethyl(methyl)amino]naphthalene-1,4-dione
• CAS: 1221948-48-6
• 化学式: C₁₃H₈F₅NO₃
• 分子量: 321.203
• InChiKey: XIJUQXULXADTGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-甲基-2-羟基乙胺 、 hexafluoro-1,4-naphthoquinone 以 1,4-二氧六环 为溶剂， 反应 2.5h， 以87%的产率得到2,5,6,7,8-pentafluoro-2-[2-hydroxyethyl(methyl)amino]-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  Synthesis of 2-aminopentafluoro-1,4-naphthoquinone derivatives

  摘要：

  Potential biologically active derivatives of 2-aminopentafluoro-1,4-naphthoquinone modified at the amino group were synthesized in 32-96% yield by reactions of hexafluoro-1,4-naphthoquinone with nitrogen-centered nucleophiles.

  DOI：

  10.1134/s1070428009060050

文献信息

• Synthesis of 2-aminopentafluoro-1,4-naphthoquinone derivatives
  作者：L. I. Goryunov、N. M. Troshkova、G. A. Nevinskii、V. D. Shteingarts

  DOI：10.1134/s1070428009060050

  日期：2009.6

  Potential biologically active derivatives of 2-aminopentafluoro-1,4-naphthoquinone modified at the amino group were synthesized in 32-96% yield by reactions of hexafluoro-1,4-naphthoquinone with nitrogen-centered nucleophiles.