8-(2,2-Dimethyl-propionyloxy)-2-methyl-quinoline-7-carboxylic acid 2,2,2-trichloro-ethyl ester | 717131-99-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-(2,2-Dimethyl-propionyloxy)-2-methyl-quinoline-7-carboxylic acid 2,2,2-trichloro-ethyl ester
• CAS: 717131-99-2
• 化学式: C₁₈H₁₈Cl₃NO₄
• 分子量: 418.704
• InChiKey: BDNNVQHMLNJUPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.02
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  65.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  8-(2,2-Dimethyl-propionyloxy)-2-methyl-quinoline-7-carboxylic acid 2,2,2-trichloro-ethyl ester 在 吡啶 、 selenium(IV) oxide 、 木榴油 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 吡啶 、 二氯甲烷 为溶剂， 生成 2-(2,3-dihydroxy-benzylcarbamoyl)-8-hydroxyquinoline-7-carboxylic acid
  参考文献：
  名称：

  Linker-modified quinoline derivatives targeting HIV-1 integrase: synthesis and biological activity

  摘要：

  A novel series of HIV-1 integrase inhibitors was synthesized and tested in both in vitro and ex vivo assays. These inhibitors are featured by the presence of a quinoline subunit and an ancillary aromatic ring linked by functionalized spacers such as amide, hydrazide, urea and 1-hydroxyprop-l-en-3-one moiety. Amide derivatives are the most promising ones and could serve as leads for further developments. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.005
• 作为产物：
  描述：

  8-羟基-2-甲基喹啉-7-羧酸 在 吡啶 、 PPA 作用下， 生成 8-(2,2-Dimethyl-propionyloxy)-2-methyl-quinoline-7-carboxylic acid 2,2,2-trichloro-ethyl ester
  参考文献：
  名称：

  Linker-modified quinoline derivatives targeting HIV-1 integrase: synthesis and biological activity

  摘要：

  A novel series of HIV-1 integrase inhibitors was synthesized and tested in both in vitro and ex vivo assays. These inhibitors are featured by the presence of a quinoline subunit and an ancillary aromatic ring linked by functionalized spacers such as amide, hydrazide, urea and 1-hydroxyprop-l-en-3-one moiety. Amide derivatives are the most promising ones and could serve as leads for further developments. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.005