6,8-Dimethyl-4-oxo-4H-1-thia-4b-aza-fluorene-2,3,9-tricarboxylic acid 9-ethyl ester 2,3-dimethyl ester | 259662-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 6,8-Dimethyl-4-oxo-4H-1-thia-4b-aza-fluorene-2,3,9-tricarboxylic acid 9-ethyl ester 2,3-dimethyl ester
• 英文别名: 10-O-ethyl 2-O,3-O-dimethyl 7,9-dimethyl-4-oxothiopyrano[2,3-b]indolizine-2,3,10-tricarboxylate
• CAS: 259662-10-7
• 化学式: C₂₀H₁₉NO₇S
• 分子量: 417.439
• InChiKey: LWOTVSNOXDANFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6,8-Dimethyl-4-oxo-4H-1-thia-4b-aza-fluorene-2,3,9-tricarboxylic acid 9-ethyl ester 2,3-dimethyl ester 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6,8-Dimethyl-4-oxo-4H-1-thia-4b-aza-fluorene-3,9-dicarboxylic acid 9-ethyl ester 3-methyl ester
  参考文献：
  名称：

  新型氮桥杂环化合物的制备。47. 2-Indolizinethiolates 与乙炔化合物的反应

  摘要：

  The reactions of potassium 2-indolizinethiolates having an ester group at the 3-position with some electron deficient acetylenic compounds were investigated. Their Michael additions or Michael addition-cyclizations proceeded with the elimination of an ester group to provide the corresponding 2-vinylthioindolizine and 4H-thiino[2,3-b]indolizin-4-one derivatives.

  DOI：

  10.3987/com-99-s12
• 作为产物：
  描述：

  Diethyl 2-(3-ethoxy-3-oxopropyl)sulfanyl-6,8-dimethylindolizine-1,3-dicarboxylate 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.25h， 生成 6,8-Dimethyl-4-oxo-4H-1-thia-4b-aza-fluorene-2,3,9-tricarboxylic acid 9-ethyl ester 2,3-dimethyl ester
  参考文献：
  名称：

  新型氮桥杂环化合物的制备。47. 2-Indolizinethiolates 与乙炔化合物的反应

  摘要：

  The reactions of potassium 2-indolizinethiolates having an ester group at the 3-position with some electron deficient acetylenic compounds were investigated. Their Michael additions or Michael addition-cyclizations proceeded with the elimination of an ester group to provide the corresponding 2-vinylthioindolizine and 4H-thiino[2,3-b]indolizin-4-one derivatives.

  DOI：

  10.3987/com-99-s12

文献信息

• Preparation of New Nitrogen-bridged Heterocycles. 47. Reactions of 2-Indolizinethiolates with Acetylenic Compounds
  作者：Akikazu Kakehi、Suketaka Ito、Hiroyuki Suga、Hiroyuki Takahashi、Kazuhiro Dobashi

  DOI：10.3987/com-99-s12

  日期：——

  The reactions of potassium 2-indolizinethiolates having an ester group at the 3-position with some electron deficient acetylenic compounds were investigated. Their Michael additions or Michael addition-cyclizations proceeded with the elimination of an ester group to provide the corresponding 2-vinylthioindolizine and 4H-thiino[2,3-b]indolizin-4-one derivatives.