2'-amino-4',6'-difluoro-2-methoxyacetophenone | 212512-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-amino-4',6'-difluoro-2-methoxyacetophenone
• 英文别名: 1-(2-Amino-4,6-difluorophenyl)-2-methoxyethanone
• CAS: 212512-30-6
• 化学式: C₉H₉F₂NO₂
• 分子量: 201.173
• InChiKey: LBWFFEOUYOCCDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2'-amino-4',6'-difluoro-2-methoxyacetophenone 在 吡啶 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 160.0~165.0 ℃ 、1.24 MPa 条件下， 生成 2-(3,4-dimethoxyphenyl)-5,7-difluoro-3-methoxy-1H-quinolin-4-one
  参考文献：
  名称：

  Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)

  摘要：

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80087-7
• 作为产物：
  描述：

  甲氧基乙腈 、 3,5-二氟苯胺 在 四氯化钛 三氯化硼 、 盐酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 2'-amino-4',6'-difluoro-2-methoxyacetophenone
  参考文献：
  名称：

  Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)

  摘要：

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80087-7

文献信息

• Synthesis and Inhibitory Activity of Novel Tri- and Tetracyclic Quinolines against Topoisomerases
  作者：Zhihua Sui、Jason Altom、Van N. Nguyen、Jeff Fernandez、Jeff I. Bernstein、Jamese J. Hiliard、John F. Barrett、Brent L. Podlogar、Kwasi A. Ohemeng

  DOI：10.1016/s0968-0896(98)00030-3

  日期：1998.6

  A series of isoindolo[2,1-a]- and pyrrolo[1,2-a]quinolines were designed and synthesized for DNA-gyrase and topoisomerase-II inhibition studies. Some of the compounds showed significant activity against the enzymes.

  设计并合成了一系列异吲哚并[2,1-a]-和吡咯并[1,2-a]喹啉，用于DNA陀螺酶和拓扑异构酶-II抑制研究。一些化合物显示出对酶的显着活性。
• Synthesis and topoisomerase inhibitory activities of novel aza-analogues of flavones11Part of the work was presented at the XIVth International Symposium on Medicinal Chemistry, Maastricht, NL, 1996 (Abst. P–10.17)
  作者：Zhihua Sui、Van N Nguyen、Jason Altom、Jeffrey Fernandez、Jamese J Hilliard、Jeffrey I Bernstein、John F Barrett、Kwasi A Ohemeng

  DOI：10.1016/s0223-5234(99)80087-7

  日期：1999.5

  A series of aza-flavones (3-hydroxy-2-phenyl-4-quinolones) were designed and synthesized as inhibitors of bacterial DNA-gyrase and mammalian topoisomerase II. Structure activity relationships of the compounds against each of the enzymes are discussed. (C) Elsevier, Paris.