2,3,5-trichloro-6-(N,N'-diphenylthioureido)benzo-1,4-quinone | 251918-38-4

• 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: 2,3,5-trichloro-6-(N,N'-diphenylthioureido)benzo-1,4-quinone
• 英文别名: 1,3-Diphenyl-1-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)thiourea
• CAS: 251918-38-4
• 化学式: C₁₉H₁₁Cl₃N₂O₂S
• 分子量: 437.734
• InChiKey: OPYWHFSUBJWNNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,5-trichloro-6-(N,N'-diphenylthioureido)benzo-1,4-quinone 在 sodium hydroxide 作用下， 生成 5,6-dichloro-2,3-(N,N'-diphenylthioureylene)benzo-1,4-quinone
  参考文献：
  名称：

  Study of a novel reaction between N,N ′-diphenylthiourea and p-chloranil through a charge-transfer intermediate

  摘要：

  The well-known electron acceptor, p-chloranil (A) and donor, N,N′-diphenylthiourea (B) have been observed to form a labile charge-transfer (CT) complex (AB), which decays slowly into two products viz. 2,3,5-trichloro-6-(N,N′-diphenylthioureido)benzo-1,4-quinone (P) and 5,6-dichloro-2,3-(N,N′-diphenylthioureylene)benzo-1,4-quinone (Q). The final products have been isolated in pure form and one of them, P, has been shown to exhibit sensitive solvatochromism. A detailed kinetic study of the decay process of the CT complex has been carried out and based on kinetic data, the following steps have been suggested for the decay process.

  DOI：

  10.1039/a810008j
• 作为产物：
  描述：

  1,3-Diphenyl-thiourea; compound with 2,3,5,6-tetrachloro-[1,4]benzoquinone 以 氯仿 为溶剂， 生成 5,6-dichloro-2,3-(N,N'-diphenylthioureylene)benzo-1,4-quinone 、 2,3,5-trichloro-6-(N,N'-diphenylthioureido)benzo-1,4-quinone
  参考文献：
  名称：

  Study of a novel reaction between N,N ′-diphenylthiourea and p-chloranil through a charge-transfer intermediate

  摘要：

  The well-known electron acceptor, p-chloranil (A) and donor, N,N′-diphenylthiourea (B) have been observed to form a labile charge-transfer (CT) complex (AB), which decays slowly into two products viz. 2,3,5-trichloro-6-(N,N′-diphenylthioureido)benzo-1,4-quinone (P) and 5,6-dichloro-2,3-(N,N′-diphenylthioureylene)benzo-1,4-quinone (Q). The final products have been isolated in pure form and one of them, P, has been shown to exhibit sensitive solvatochromism. A detailed kinetic study of the decay process of the CT complex has been carried out and based on kinetic data, the following steps have been suggested for the decay process.

  DOI：

  10.1039/a810008j