1,4-dihydro-1,4-dioxonaphtho[b-2,3]-1,5-dithiacyclooctene | 1261657-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-dihydro-1,4-dioxonaphtho[b-2,3]-1,5-dithiacyclooctene
• CAS: 1261657-95-7
• 化学式: C₁₄H₁₂O₂S₂
• 分子量: 276.38
• InChiKey: WYTAEASKRMWEBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,3-丙二硫醇 、 2-溴-3-甲基萘-1,4-二酮 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 168.0h， 以39%的产率得到1,4-dihydro-1,4-dioxonaphtho[b-2,3]-1,4-dithiacycloheptene
  参考文献：
  名称：

  Novel epoxide formation in the reaction of 2-bromo-3-methyl-1,4-naphthoquinone with 1,3-propanedithiol

  摘要：

  A novel epoxide 2 was formed as the major product in the reaction of 2-bromo-3-methyl-1,4-naphthoquinone with 1,3-propanedithiol in the presence of triethylamine in 92% yield. Molecular oxygen is suggested to be the source of the added oxygen in 2, an oxidation product of its precursor 3. A strong base such as triethylamine is required to abstract the methyl hydrogen of 1,4-naphthoquinones, leading to the formation of 3 as well as 2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.098