2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone

• 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: 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone
• 英文别名: 2,5-Dichloro-3,6-bis(dibenzylamino)cyclohexa-2,5-diene-1,4-dione；2,5-dichloro-3,6-bis(dibenzylamino)cyclohexa-2,5-diene-1,4-dione
• 化学式: C₃₄H₂₈Cl₂N₂O₂
• 分子量: 567.515
• InChiKey: PSTLRDHPRAYDFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone 以 氯仿 为溶剂， 反应 4.0h， 以26%的产率得到2,5-bis(benzylamino)-3,6-dichloro-p-benzoquinone
  参考文献：
  名称：

  Unexpected photochemical debenzylation of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone

  摘要：

  Studies on the conformational polymorphism of organic dyes with bulky and flexible substituents showed that the benzyl moiety of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone can be easily eliminated under ambient light conditions to afford two analogous derivatives, 2,5-bis(benzylamino)3,6-dichloro-p-benzoquinone and 2-amino-5-benzylamino-3,6-dichloro-p-benzoquinone. Herein, we report the optical properties as well as the molecular and crystal structures of these three diaminodi-chlorobenzoquinone dyes with the details of their crystallization. The responses of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone under irradiation in solution and the crystalline states are reported. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2015.05.036
• 作为产物：
  描述：

  四氯苯醌 、 二苄胺 以 苯 为溶剂， 反应 18.0h， 以33%的产率得到2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone
  参考文献：
  名称：

  Unexpected photochemical debenzylation of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone

  摘要：

  Studies on the conformational polymorphism of organic dyes with bulky and flexible substituents showed that the benzyl moiety of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone can be easily eliminated under ambient light conditions to afford two analogous derivatives, 2,5-bis(benzylamino)3,6-dichloro-p-benzoquinone and 2-amino-5-benzylamino-3,6-dichloro-p-benzoquinone. Herein, we report the optical properties as well as the molecular and crystal structures of these three diaminodi-chlorobenzoquinone dyes with the details of their crystallization. The responses of 2,5-bis(dibenzylamino)-3,6-dichloro-p-benzoquinone under irradiation in solution and the crystalline states are reported. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2015.05.036