3-trifluoromethyl-6-tert-butylbenzo-1,4-oxathian oxide | 136603-75-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-trifluoromethyl-6-tert-butylbenzo-1,4-oxathian oxide
• 英文别名: 6-Tert-butyl-3-(trifluoromethyl)-2,3-dihydro-1,4lambda4-benzoxathiine 4-oxide；6-tert-butyl-3-(trifluoromethyl)-2,3-dihydro-1,4λ4-benzoxathiine 4-oxide
• CAS: 136603-75-3
• 化学式: C₁₃H₁₅F₃O₂S
• 分子量: 292.322
• InChiKey: AZADBCPNWIJXFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-tert-Butyl-2-(1-trifluoromethyl-vinylsulfanyl)-phenol 在 sodium hydroxide 、 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 21.0h， 生成 3-trifluoromethyl-6-tert-butylbenzo-1,4-oxathian oxide
  参考文献：
  名称：

  Trifluoromethyl-containing cumulated 1,3-oxathiols and 1,4-oxathians

  摘要：

  In the course of acid catalysis, ortho-(1-trifluoromethylvinylthio)phenols cyclize into benzo-1,3-oxathiols, and on treatment with aqueous alkali - into benzo-1,4-oxathians. The characteristic features of these transformations and the oxidative reactions of oxathians were studied.

  DOI：

  10.1007/bf00961249

文献信息

• SIZOV, A. YU.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1625-1630
  作者：SIZOV, A. YU.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——
• Trifluoromethyl-containing cumulated 1,3-oxathiols and 1,4-oxathians
  作者：A. Yu. Sizov、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00961249

  日期：1991.7

  In the course of acid catalysis, ortho-(1-trifluoromethylvinylthio)phenols cyclize into benzo-1,3-oxathiols, and on treatment with aqueous alkali - into benzo-1,4-oxathians. The characteristic features of these transformations and the oxidative reactions of oxathians were studied.