(E)-3-{10-(2-ethylhexyl)-7-[(E)-2-formyl-1-ethenyl]-10H-phenothiazin-3-yl}-2-propenal | 1374005-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (E)-3-{10-(2-ethylhexyl)-7-[(E)-2-formyl-1-ethenyl]-10H-phenothiazin-3-yl}-2-propenal
• CAS: 1374005-32-9
• 化学式: C₂₆H₂₉NO₂S
• 分子量: 419.588
• InChiKey: PKGWKTAOFYWSCI-KZZDLZNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.93
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  37.38
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-3-{10-(2-ethylhexyl)-7-[(E)-2-formyl-1-ethenyl]-10H-phenothiazin-3-yl}-2-propenal 、 1-甲基-1-苯肼 以 甲苯 为溶剂， 反应 3.0h， 以70%的产率得到(E)-3-{10-(2-ethylhexyl)-7-[(E)-2-formyl-1-ethenyl]-10H-phenothiazin-3-yl}-2-propenal di(1-methyl-1-phenylhydrazone)
  参考文献：
  名称：

  Synthesis of electroactive hydrazones derived from 3-(10-alkyl-10H-phenothiazin-3-yl)-2-propenals and their corresponding 3,3′-bispropenals

  摘要：

  3-(10-Alkyl-10H-phenothiazin-3-yl)-2-propenals and their corresponding 3,3'-bispropenals that represent a previously unexplored class of functionalised phenothiazine derivatives were prepared upon reacting N-alkylated 3-bromo- and 3,7-dibromo-10H-phenothiazines with acrolein diethyl acetal under Pd catalysis. The obtained heterocyclic 2,3-unsaturated aldehydes were condensed with N-methyl-N-phenylhydrazine and N,N-diphenylhydrazine resulting in mono- and dihydrazones that act as effective hole transporting materials. Thermal, optical, electrochemical and photophysical properties of the synthesised new organic electroactive derivatives have been investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.010
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 (E)-3-{10-(2-ethylhexyl)-7-[(E)-2-formyl-1-ethenyl]-10H-phenothiazin-3-yl}-2-propenal
  参考文献：
  名称：

  Synthesis of electroactive hydrazones derived from 3-(10-alkyl-10H-phenothiazin-3-yl)-2-propenals and their corresponding 3,3′-bispropenals

  摘要：

  3-(10-Alkyl-10H-phenothiazin-3-yl)-2-propenals and their corresponding 3,3'-bispropenals that represent a previously unexplored class of functionalised phenothiazine derivatives were prepared upon reacting N-alkylated 3-bromo- and 3,7-dibromo-10H-phenothiazines with acrolein diethyl acetal under Pd catalysis. The obtained heterocyclic 2,3-unsaturated aldehydes were condensed with N-methyl-N-phenylhydrazine and N,N-diphenylhydrazine resulting in mono- and dihydrazones that act as effective hole transporting materials. Thermal, optical, electrochemical and photophysical properties of the synthesised new organic electroactive derivatives have been investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.010