Methyl (1-methoxycarbonylsulfanylazulen-2-yl)sulfanylformate | 1451059-77-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Methyl (1-methoxycarbonylsulfanylazulen-2-yl)sulfanylformate
• 英文别名: methyl (1-methoxycarbonylsulfanylazulen-2-yl)sulfanylformate
• CAS: 1451059-77-0
• 化学式: C₁₄H₁₂O₄S₂
• 分子量: 308.379
• InChiKey: BPEPBJRQGXSYKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  奥苷菊环 在 吡啶 、 lithium aluminium tetrahydride 、 cyclo-tetradecasulfur 作用下， 以 四氢呋喃 为溶剂， 反应 79.67h， 生成 Methyl (1-methoxycarbonylsulfanylazulen-2-yl)sulfanylformate
  参考文献：
  名称：

  AZULENOPENTATHIEPIN: PREPARATION AND CONVERSION INTO AZULENES WITH SULFUR GROUPS AT THE 1- AND 2-POSITIONS

  摘要：

  Azulenopentathiepin was prepared by the reaction of azulene with elemental sulfur in boiling pyridine. Bis(thiolate) generated from the pentathiepin reacted with electrophiles such as iodomethane, methyl chloroformate, N,N'-carbonyldiimidazole and N,N'-thiocarbonyldiimidazole to afford the corresponding azulene derivatives. Desulfuration of the pentathiepin and the successive reaction with DMAD or a Pd(0) reagent afforded a 1,4-dithiin compound or Pd complexes.

  DOI：

  10.3987/com-12-s(n)80

文献信息

• AZULENOPENTATHIEPIN: PREPARATION AND CONVERSION INTO AZULENES WITH SULFUR GROUPS AT THE 1- AND 2-POSITIONS
  作者：Ohki Sato、Atsushi Sakai、Masami Aoki、Takaaki Kuramochi、Juzo Nakayama

  DOI：10.3987/com-12-s(n)80

  日期：——

  Azulenopentathiepin was prepared by the reaction of azulene with elemental sulfur in boiling pyridine. Bis(thiolate) generated from the pentathiepin reacted with electrophiles such as iodomethane, methyl chloroformate, N,N'-carbonyldiimidazole and N,N'-thiocarbonyldiimidazole to afford the corresponding azulene derivatives. Desulfuration of the pentathiepin and the successive reaction with DMAD or a Pd(0) reagent afforded a 1,4-dithiin compound or Pd complexes.