6-ethyl-10-hydroxyy[1,2,3]trithiolo[4,5-h]benzopentathiepin | 937805-02-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-ethyl-10-hydroxyy[1,2,3]trithiolo[4,5-h]benzopentathiepin
• 英文别名: 10-Ethyltrithiolo[4,5-h][1,2,3,4,5]benzopentathiepin-6-ol；10-ethyltrithiolo[4,5-h][1,2,3,4,5]benzopentathiepin-6-ol
• CAS: 937805-02-2
• 化学式: C₈H₆OS₈
• 分子量: 374.663
• InChiKey: LLZVYQBNOASCJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  223
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  6-ethyl-10-hydroxyy[1,2,3]trithiolo[4,5-h]benzopentathiepin 在 sodium tetrahydroborate 、 oxonium 作用下， 以 四氢呋喃 为溶剂， 生成 4-ethyl-1-hydroxy-2,3-benzenedithiole
  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：

  4-乙基苯酚 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 氨 、 溴 、 铁粉 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 6-ethyl-10-hydroxyy[1,2,3]trithiolo[4,5-h]benzopentathiepin
  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

文献信息

• Synthesis and reactions of benzopentathiepin having hydroxyl group
  作者：Ryu Sato、Toshiyuki Fujio、Shiduko Nakajo、Satoshi Ogawa、Ashraful Alam

  DOI：10.1016/j.tetlet.2007.02.109

  日期：2007.4

  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.