Methyl 2-cyano-2-(4,5-dimethyl-3,6-dioxo-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)acetate | 883902-82-7

• 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: Methyl 2-cyano-2-(4,5-dimethyl-3,6-dioxo-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)acetate
• CAS: 883902-82-7
• 化学式: C₁₈H₁₅NO₄S
• 分子量: 341.387
• InChiKey: MAKGLQVNPAJQMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-cyano-2-(4,5-dimethyl-3,6-dioxo-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)acetate 在 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以80%的产率得到Methyl 3-amino-6-hydroxy-7,8-dimethyl-5-phenylsulfanyl-cinnoline-4-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-hydroxycinnolines

  摘要：

  6-Hydroxycinnolines 2 and cyclohexa-2,5-diene-1,4-dione derivatives 6 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 6-Hydroxycinnolines 2 showed, in general, more potent antifungal activity against Candida species than the other cyclohexa-2,5-diene-1,4-diones. The results Suggest that 6-hydroxycinnolines would be potent antifungal agents. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.005
• 作为产物：
  描述：

  2,3-dichloro-5,6-dimethyl-1,4-benzoquinone 在 ammonium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.17h， 生成 Methyl 2-cyano-2-(4,5-dimethyl-3,6-dioxo-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)acetate
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-hydroxycinnolines

  摘要：

  6-Hydroxycinnolines 2 and cyclohexa-2,5-diene-1,4-dione derivatives 6 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 6-Hydroxycinnolines 2 showed, in general, more potent antifungal activity against Candida species than the other cyclohexa-2,5-diene-1,4-diones. The results Suggest that 6-hydroxycinnolines would be potent antifungal agents. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.005