Ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-cyano-acetate | 926013-25-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-cyano-acetate
• 英文别名: ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-cyanoacetate
• CAS: 926013-25-4
• 化学式: C₁₃H₁₂ClNO₄
• 分子量: 281.696
• InChiKey: YFGJVEHWICKMAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-cyano-acetate 、 甲胺 以 乙醇 为溶剂， 反应 1.0h， 以42%的产率得到Ethyl 1,5,6-trimethyl-4,7-dioxo-indole-3-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal activity of 1H-indole-4,7-diones

  摘要：

  1H-Indole-4,7-diones were synthesized and tested for in vitro antifungal activity against fungi. The synthesized 1H-indole-4,7-diones generally showed good antifungal activity against Candida krusei, Cryptococcus neoformans, and Aspergillus niger. The results suggest that 1H-indole-4,7-diones would be potent antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.076
• 作为产物：
  描述：

  2,3-二甲基氢醌 在 盐酸 、 ammonium hydroxide 、 硝酸 作用下， 以 乙醇 为溶剂， 反应 0.17h， 生成 Ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-cyano-acetate
  参考文献：
  名称：

  Synthesis and antifungal activity of 1H-indole-4,7-diones

  摘要：

  1H-Indole-4,7-diones were synthesized and tested for in vitro antifungal activity against fungi. The synthesized 1H-indole-4,7-diones generally showed good antifungal activity against Candida krusei, Cryptococcus neoformans, and Aspergillus niger. The results suggest that 1H-indole-4,7-diones would be potent antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.076