3-hydroxy-5-methylthiophene | 128889-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-hydroxy-5-methylthiophene
• 英文别名: 5-Methylthiophen-3-ol
• CAS: 128889-82-7
• 化学式: C₅H₆OS
• 分子量: 114.168
• InChiKey: ZBUSAJQEKSDYMS-UHFFFAOYSA-N

物化性质

• 沸点：
  196.6±20.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxy-5-methylthiophene 在 盐酸 、 肼 作用下， 生成 2,4,6,6-tetramethylspiro[2,3-dihydrothieno[3,2-b]pyrrole-5,3'-[3H]naphtho[2,1-b][1,4]oxazine]
  参考文献：
  名称：

  Synthesis and Photochromism of Dihetarylethenes and Spiro Compounds based on Thiophene Derivatives

  摘要：

  Different types of diarylethenes bearing thiophene derivatives were synthesized by a short way and its photchromic properties were examined. It has been demonstrated for the first time that the photochromism of diarylcyclobutenediones depends on aryl substituents and dithienylcyclobutenediones in contrast to the annulated thiophene derivatives of cyclobutenedione, do not exhibit photochromic properties. An efficient approach for the synthesis of spiro compounds of the thieno[3,2-b]pyrrole series was developed starting from easily accessible substituted thienylhydrazine.

  DOI：

  10.1080/15421400590946703
• 作为产物：
  描述：

  2,2-dimethyl-5-[1-(methylthio)ethylidene]-1,3-dioxane-4,6-dione 625.0 ℃ 、0.13 Pa 条件下， 反应 2.0h， 以75%的产率得到3-hydroxy-5-methylthiophene
  参考文献：
  名称：

  Hunter, Gordon A.; McNab, Hamish, Journal of the Chemical Society. Perkin transactions I, 1995, # 10, p. 1209 - 1214

  摘要：

  DOI：