(3E,5E)-3,5-bis{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-methylpiperidin-4-one | 1126530-45-7

• 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: (3E,5E)-3,5-bis{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-methylpiperidin-4-one
• 英文别名: 3,5-bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone；3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone；(3E,5E)-3,5-bis[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-methylpiperidin-4-one
• CAS: 1126530-45-7
• 化学式: C₂₈H₃₃N₃O
• 分子量: 427.59
• InChiKey: FNNKNFSHJQHKHD-XDOZMWRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基-4-哌啶酮 、 3-(4-dimethylamino-phenyl)-propenal 在 三氟化硼乙醚 作用下， 以 乙腈 为溶剂， 以93%的产率得到(3E,5E)-3,5-bis{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-methylpiperidin-4-one
  参考文献：
  名称：

  Synthesis, structure, and one- and two-photon absorption properties of N-substituted 3,5-bisarylidenepropenpiperidin-4-ones

  摘要：

  A series of 3,5-bisarylidenepropenpiperidin-4-one compounds with a D-pi-A-pi-D structure, containing donors (R-1 = NEt2, NMe2) and terminal groups at the central nitrogen ring atom (R-2 = H, Me, Et, P(O)(OEt)(2)) was synthesized with the goal of improving one- and two-photon absorption properties of the earlier designed compounds, which potential activity as photosensitizers was demonstrated with appeal of biological and spectroscopic data. Several of the compounds studied have a two photon absorption cross section approximately six times larger than previously measured for 3,5-bisarylidenemethylenpiperidin-4-ones with short alkene chains. Spectral data are discussed in connection with structural characteristics of studied materials. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.12.034