2,4-Bis-(4-diethylamino-phenyl)-3-ethylamino-cyclobut-2-enone | 479586-67-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,4-Bis-(4-diethylamino-phenyl)-3-ethylamino-cyclobut-2-enone
• 英文别名: 2,4-Bis[4-(diethylamino)phenyl]-3-(ethylamino)cyclobut-2-en-1-one；2,4-bis[4-(diethylamino)phenyl]-3-(ethylamino)cyclobut-2-en-1-one
• CAS: 479586-67-9
• 化学式: C₂₆H₃₅N₃O
• 分子量: 405.583
• InChiKey: KKQJRSLOLKELRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-Bis-(4-diethylamino-phenyl)-3-ethylamino-cyclobut-2-enone 在 四氯苯醌 作用下， 以 二氯甲烷 为溶剂， 生成 {4-[3-(4-Diethylamino-phenyl)-2-ethylamino-4-oxo-cyclobut-2-enylidene]-cyclohexa-2,5-dienylidene}-diethyl-ammonium
  参考文献：
  名称：

  Facile preparative redox chemistry of bis(4-dialkylaminophenyl)squaraine dyes

  摘要：

  Bis(4-dialkylaminophenyl)squaraine dyes are readily reduced in solution by borohydride to give alkali soluble leuco compounds, which exist in the 3-hydroxy-2,4-(4-dialkylaminophenyl)cyclobutenone tautomeric form. The leuco dyes can be oxidised rapidly back to the squaraine dye, thus providing a means of temporarily solubilising the squaraine dye in water. The leuco compounds undergo Substitution reactions typical of vinylogous carboxylic acids. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01857-9
• 作为产物：
  描述：

  squaraine 在 吡啶 、 sodium tetrahydroborate 、 三氯氧磷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.5h， 生成 2,4-Bis-(4-diethylamino-phenyl)-3-ethylamino-cyclobut-2-enone
  参考文献：
  名称：

  Facile preparative redox chemistry of bis(4-dialkylaminophenyl)squaraine dyes

  摘要：

  Bis(4-dialkylaminophenyl)squaraine dyes are readily reduced in solution by borohydride to give alkali soluble leuco compounds, which exist in the 3-hydroxy-2,4-(4-dialkylaminophenyl)cyclobutenone tautomeric form. The leuco dyes can be oxidised rapidly back to the squaraine dye, thus providing a means of temporarily solubilising the squaraine dye in water. The leuco compounds undergo Substitution reactions typical of vinylogous carboxylic acids. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01857-9

文献信息

• Facile preparative redox chemistry of bis(4-dialkylaminophenyl)squaraine dyes
  作者：John Griffiths、Sooyoul Park

  DOI：10.1016/s0040-4039(02)01857-9

  日期：2002.10

  Bis(4-dialkylaminophenyl)squaraine dyes are readily reduced in solution by borohydride to give alkali soluble leuco compounds, which exist in the 3-hydroxy-2,4-(4-dialkylaminophenyl)cyclobutenone tautomeric form. The leuco dyes can be oxidised rapidly back to the squaraine dye, thus providing a means of temporarily solubilising the squaraine dye in water. The leuco compounds undergo Substitution reactions typical of vinylogous carboxylic acids. (C) 2002 Elsevier Science Ltd. All rights reserved.