Anhydro-4-hydroxy-2-(4-chlorophenyl)-5-phenyl-1,3-dithiolium hydroxide | 191860-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Anhydro-4-hydroxy-2-(4-chlorophenyl)-5-phenyl-1,3-dithiolium hydroxide
• 英文别名: 2-(4-Chlorophenyl)-5-phenyl-1lambda4,3-dithiacyclopenta-1,5-dien-4-one；2-(4-chlorophenyl)-5-phenyl-1λ4,3-dithiacyclopenta-1,5-dien-4-one
• CAS: 191860-99-8
• 化学式: C₁₅H₉ClOS₂
• 分子量: 304.821
• InChiKey: FJKYXFRZJABRBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲氧基-4-(3,3,3-三氟丙-1-炔基)苯 、 Anhydro-4-hydroxy-2-(4-chlorophenyl)-5-phenyl-1,3-dithiolium hydroxide 以 xylene 为溶剂， 反应 20.0h， 生成 2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)thiophene 、 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-4-(trifluoromethyl)thiophene
  参考文献：
  名称：

  Synthesis of 2,3,5-triaryl-4-trifluoromethyl thiophenes

  摘要：

  Triaryl-beta-trifluoromethyl thiophenes are synthesized from 1,3-dithiolium-4-olates and various substituted 1-aryl-3,3,3-trifluoro-1-propynes. The spectroscopic characteristics of the products and the regioselectivity of the reaction are discussed.

  DOI：

  10.1016/s0022-1139(96)03575-0
• 作为产物：
  描述：

  dithio-4-chlorobenzoic acid 在 乙酸酐 、 sodium carbonate 、 三乙胺 作用下， 反应 6.0h， 生成 Anhydro-4-hydroxy-2-(4-chlorophenyl)-5-phenyl-1,3-dithiolium hydroxide
  参考文献：
  名称：

  Synthesis of 2,3,5-triaryl-4-trifluoromethyl thiophenes

  摘要：

  Triaryl-beta-trifluoromethyl thiophenes are synthesized from 1,3-dithiolium-4-olates and various substituted 1-aryl-3,3,3-trifluoro-1-propynes. The spectroscopic characteristics of the products and the regioselectivity of the reaction are discussed.

  DOI：

  10.1016/s0022-1139(96)03575-0

文献信息

• Synthesis of 2,3,5-triaryl-4-trifluoromethyl thiophenes
  作者：Giovanni Meazza、Giampaolo Zanardi、Gianfranco Guglielmetti、Paolo Piccardi

  DOI：10.1016/s0022-1139(96)03575-0

  日期：1997.5

  Triaryl-beta-trifluoromethyl thiophenes are synthesized from 1,3-dithiolium-4-olates and various substituted 1-aryl-3,3,3-trifluoro-1-propynes. The spectroscopic characteristics of the products and the regioselectivity of the reaction are discussed.