5-[1-Dimethylamino-meth-(Z)-ylidene]-cyclopenta[b]thiophene-4,6-dione | 189179-82-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[1-Dimethylamino-meth-(Z)-ylidene]-cyclopenta[b]thiophene-4,6-dione
• CAS: 189179-82-6
• 化学式: C₁₀H₉NO₂S
• 分子量: 207.253
• InChiKey: SHSUZRBZEPHZPS-UHFFFAOYSA-N

物化性质

• 沸点：
  329.6±42.0 °C(Predicted)
• 密度：
  1.459±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  37.38
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-[1-Dimethylamino-meth-(Z)-ylidene]-cyclopenta[b]thiophene-4,6-dione 在 二甲基二环氧乙烷 作用下， 以 丙酮 为溶剂， 反应 0.25h， 以86%的产率得到thianinhydrin
  参考文献：
  名称：

  Novel synthesis of thianinhydrin

  摘要：

  The synthesis of the previously reported thianinhydrin (12) was achieved from 3-methylthiophene via the corresponding 5,6-dihydrocyclopenta[b]thiophen-4,6-dio (10). Conversion of 10 to the tricarbonyl (12) proceeded in good yield using dimethydioxirane oxidation of 5,6-dihydro-5-dimethyl aminomethylenecyclopenta[b]thiophen-4,6-dione (14). The fluorescence intensity of the zinc salt of the product of 12 and glycine was similar to that obtained from the product of ninhydrin and the same amino acid. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00151-8
• 作为产物：
  描述：

  4,4-Dibromo-4,5-dihydro-cyclopenta[b]thiophen-6-one 在 水 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 27.0h， 生成 5-[1-Dimethylamino-meth-(Z)-ylidene]-cyclopenta[b]thiophene-4,6-dione
  参考文献：
  名称：

  Novel synthesis of thianinhydrin

  摘要：

  The synthesis of the previously reported thianinhydrin (12) was achieved from 3-methylthiophene via the corresponding 5,6-dihydrocyclopenta[b]thiophen-4,6-dio (10). Conversion of 10 to the tricarbonyl (12) proceeded in good yield using dimethydioxirane oxidation of 5,6-dihydro-5-dimethyl aminomethylenecyclopenta[b]thiophen-4,6-dione (14). The fluorescence intensity of the zinc salt of the product of 12 and glycine was similar to that obtained from the product of ninhydrin and the same amino acid. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00151-8