3-[2-(2,5-dimethythiophen-3-yl)-2-hydroxyethyl]-2H-chromen-2-one | 1133848-30-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-[2-(2,5-dimethythiophen-3-yl)-2-hydroxyethyl]-2H-chromen-2-one
• 英文别名: 3-[2-(2,5-Dimethylthiophen-3-yl)-2-hydroxy-ethyl]-2h-chromen-2-one；3-[2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]chromen-2-one
• CAS: 1133848-30-2
• 化学式: C₁₇H₁₆O₃S
• 分子量: 300.378
• InChiKey: MGJQEVUPKNRUMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-(2,5-dimethythiophen-3-yl)-2-hydroxyethyl]-2H-chromen-2-one 在 对甲苯磺酸 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以97%的产率得到3-[(E)-2-(2,5-dimethylthiophen-3-yl)vinyl]-2H-chromen-2-one
  参考文献：
  名称：

  Synthesis and photoinduced fluorescence of 3-(2-hetarylethenyl)chromen-2-ones

  摘要：

  3-(2-Hetarylethenyl)chromen-2-ones were synthesized for the first time, following two different schemes, and their spectral and photochemical properties were studied. The title compounds were found to undergo both reversible and irreversible photoinduced transformations which are accompanied by considerable change of the fluorescence pattern.

  DOI：

  10.1134/s1070428008040210
• 作为产物：
  描述：

  3-(2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl)-2H-chromen-2-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以74%的产率得到3-[2-(2,5-dimethythiophen-3-yl)-2-hydroxyethyl]-2H-chromen-2-one
  参考文献：
  名称：

  Synthesis and photoinduced fluorescence of 3-(2-hetarylethenyl)chromen-2-ones

  摘要：

  3-(2-Hetarylethenyl)chromen-2-ones were synthesized for the first time, following two different schemes, and their spectral and photochemical properties were studied. The title compounds were found to undergo both reversible and irreversible photoinduced transformations which are accompanied by considerable change of the fluorescence pattern.

  DOI：

  10.1134/s1070428008040210