methyl 6,7-dichloro-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate | 1428248-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: methyl 6,7-dichloro-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
• 英文别名: Methyl 6,7-dichloro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate；methyl 6,7-dichloro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
• CAS: 1428248-21-8
• 化学式: C₁₃H₉Cl₂NO₄
• 分子量: 314.125
• InChiKey: LPYHZKNNZPFEFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  73.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 6,7-dichloro-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate 、 3,4-二氟苯胺 以 乙醇 为溶剂， 反应 0.5h， 生成 Methyl 6-chloro-7-(3,4-difluoroanilino)-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal evaluation of 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates

  摘要：

  7-Arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Most of tested compounds showed good antifungal activity. The results suggest that those 5,8-dioxo-5,8-dihydroisoquinolines would be potent antifungal agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.130
• 作为产物：
  描述：

  β-氨基巴豆酸甲酯 在 盐酸 、 硝酸 、 magnesium sulfate 、 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 methyl 6,7-dichloro-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal evaluation of 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates

  摘要：

  7-Arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Most of tested compounds showed good antifungal activity. The results suggest that those 5,8-dioxo-5,8-dihydroisoquinolines would be potent antifungal agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.130