Methyl 2,2-dioxo-1,3-dihydroazuleno[1,2-c]thiophene-9-carboxylate | 199984-00-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Methyl 2,2-dioxo-1,3-dihydroazuleno[1,2-c]thiophene-9-carboxylate
• CAS: 199984-00-4
• 化学式: C₁₄H₁₂O₄S
• 分子量: 276.313
• InChiKey: HAIWMUHRTXQMKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2,2-dioxo-1,3-dihydroazuleno[1,2-c]thiophene-9-carboxylate 在 磷酸 作用下， 反应 5.0h， 生成 14-Phenyl-14-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1,3,5,7,9-pentaene-13,15-dione
  参考文献：
  名称：

  Formation and Trapping of 1,2-Dimethyleneazulene

  摘要：

  1,2-Dimethyleneazulenes, an o-xylylene type reactive intermediate, have been generated by the heating of 1,3-dihydroazuleno[1,2-c]thiophene dioxides. The reactive intermediates were efficiently trapped by dienophiles, such as N-phenylmaleimide and diethyl azodicarboxylate, to form [4+2] cycloaddition products in high yields.

  DOI：

  10.3987/com-97-7933
• 作为产物：
  描述：

  methyl 1,3-dihydroazuleno[1,2-c]thiophene-9-carboxylate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到Methyl 2,2-dioxo-1,3-dihydroazuleno[1,2-c]thiophene-9-carboxylate
  参考文献：
  名称：

  Formation and Trapping of 1,2-Dimethyleneazulene

  摘要：

  1,2-Dimethyleneazulenes, an o-xylylene type reactive intermediate, have been generated by the heating of 1,3-dihydroazuleno[1,2-c]thiophene dioxides. The reactive intermediates were efficiently trapped by dienophiles, such as N-phenylmaleimide and diethyl azodicarboxylate, to form [4+2] cycloaddition products in high yields.

  DOI：

  10.3987/com-97-7933

文献信息

• Formation and Trapping of 1,2-Dimethyleneazulene
  作者：Kunihide Fujimori、Kameji Yamane、Masafumi Yasunami、Kahei Takase

  DOI：10.3987/com-97-7933

  日期：——

  1,2-Dimethyleneazulenes, an o-xylylene type reactive intermediate, have been generated by the heating of 1,3-dihydroazuleno[1,2-c]thiophene dioxides. The reactive intermediates were efficiently trapped by dienophiles, such as N-phenylmaleimide and diethyl azodicarboxylate, to form [4+2] cycloaddition products in high yields.