2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)acetamide | 1160211-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• CAS: 1160211-85-7
• 化学式: C₁₄H₁₃N₃O₃S
• 分子量: 303.342
• InChiKey: OHAMBZMZSMOFBZ-CBZSFBHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl azide 、 2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)acetamide 以 氯仿 为溶剂， 以82%的产率得到N-[2-(1,3-thiazolyl)]-2-{5-(4-nitrophenyl)-9,11-dioxo-3,4,5,10-tetrazatetracyclo[5.5.1.0^2-exo,6-exo.0^{8-endo,12-endo}]tridec-3-en-11-yl}ethaneamide
  参考文献：
  名称：

  Features of reactions between (3,5-dioxo-4-azatricyclo-[5.2.1.02-endo,6-endo ]dec-8-en-4-yl)carboxylic acids and p-nitrophenyl azide

  摘要：

  Reactions were performed of (3,5-dioxo-4-azatricyclo[5.2.1.0(2-endo,6-endo) ]dec-8-en-4-yl)carboxylic acids and their derivatives with p-nitrophenyl azide. A significant fact of the involvement of the carboxy group into the formation of aziridine ring was established and the intermolecular character of this process was confirmed. The structure of compounds synthesized was proved by IR and H-1 NMR spectra.

  DOI：

  10.1134/s1070428009020146
• 作为产物：
  描述：

  2-氨基噻唑 、 5-norbornene-2,3-dicarboxyloylglycyl chloride 在 三乙胺 作用下， 生成 2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)acetamide
  参考文献：
  名称：

  Features of reactions between (3,5-dioxo-4-azatricyclo-[5.2.1.02-endo,6-endo ]dec-8-en-4-yl)carboxylic acids and p-nitrophenyl azide

  摘要：

  Reactions were performed of (3,5-dioxo-4-azatricyclo[5.2.1.0(2-endo,6-endo) ]dec-8-en-4-yl)carboxylic acids and their derivatives with p-nitrophenyl azide. A significant fact of the involvement of the carboxy group into the formation of aziridine ring was established and the intermolecular character of this process was confirmed. The structure of compounds synthesized was proved by IR and H-1 NMR spectra.

  DOI：

  10.1134/s1070428009020146