6-ethyl-9-hydroxybenzopentathiepin | 937805-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-ethyl-9-hydroxybenzopentathiepin
• 英文别名: 9-Ethyl-1,2,3,4,5-benzopentathiepin-6-ol
• CAS: 937805-00-0
• 化学式: C₈H₈OS₅
• 分子量: 280.481
• InChiKey: KHBVPTLFOZFXSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-碘代丙烷 、 6-ethyl-9-hydroxybenzopentathiepin 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以4%的产率得到9-Ethyl-6-propan-2-yloxy-1,2,3,4,5-benzopentathiepine
  参考文献：
  名称：

  Synthesis and reactions of benzopentathiepin having hydroxyl group

  摘要：

  The synthesis of benzopentathiepin having a hydroxyl group at the neighboring position of polysulfur ring was performed by demethylation of 6-ethyl-9-methoxybenzopentathiepin with hydrogenbromide. Benzotrithiole having hydroxyl group was not isolated at all. The hydroxyl group was also alkylated with alkyl iodide in the presence of weak base. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.02.109
• 作为产物：
  描述：

  6-ethyl-9-methoxybenzopentathiepin 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 以68%的产率得到6-ethyl-9-hydroxybenzopentathiepin
  参考文献：
  名称：

  Synthesis and reactions of benzopentathiepin having hydroxyl group

  摘要：

  The synthesis of benzopentathiepin having a hydroxyl group at the neighboring position of polysulfur ring was performed by demethylation of 6-ethyl-9-methoxybenzopentathiepin with hydrogenbromide. Benzotrithiole having hydroxyl group was not isolated at all. The hydroxyl group was also alkylated with alkyl iodide in the presence of weak base. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.02.109