1-[4-(Dimethylamino)phenyl]-3-pyridin-3-ylprop-2-en-1-one

• 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: 1-[4-(Dimethylamino)phenyl]-3-pyridin-3-ylprop-2-en-1-one
• 化学式: C₁₆H₁₆N₂O
• mdl: MFCD00723208
• 分子量: 252.316
• InChiKey: SPABMCLDHGNLFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(Dimethylamino)phenyl]-3-pyridin-3-ylprop-2-en-1-one 、 碘甲烷 以 乙腈 为溶剂， 反应 10.0h， 以82%的产率得到
  参考文献：
  名称：

  Thermo-triggered release of a Cys probe from the cavity of a water-soluble pillar[5]arene

  摘要：

  A novel [2]pseudorotaxane based on thermo-responsive water-soluble pillar[5]arene WP5 and Cys probe 1 was successfully prepared in water. This complex exhibited no responsiveness to Cys at room temperature due to its high stability that inhibited the interaction between probe 1 and Cys. However, the encapsulated 1 could be released from the cavity of WP5 upon heating, leading to the formation of 1-Cys adduct. Moreover, the probe could be used to monitor Cys with high sensitivity. Importantly, WP5, 1, and the [2]pseudorotaxane WP5 superset of 1 showed excellent biocompatibility, making the probe a very attractive candidate for biological applications. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.06.005
• 作为产物：
  描述：

  3-吡啶甲醛 、 二甲氨基苯乙酮 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以95%的产率得到1-[4-(Dimethylamino)phenyl]-3-pyridin-3-ylprop-2-en-1-one
  参考文献：
  名称：

  Thermo-triggered release of a Cys probe from the cavity of a water-soluble pillar[5]arene

  摘要：

  A novel [2]pseudorotaxane based on thermo-responsive water-soluble pillar[5]arene WP5 and Cys probe 1 was successfully prepared in water. This complex exhibited no responsiveness to Cys at room temperature due to its high stability that inhibited the interaction between probe 1 and Cys. However, the encapsulated 1 could be released from the cavity of WP5 upon heating, leading to the formation of 1-Cys adduct. Moreover, the probe could be used to monitor Cys with high sensitivity. Importantly, WP5, 1, and the [2]pseudorotaxane WP5 superset of 1 showed excellent biocompatibility, making the probe a very attractive candidate for biological applications. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.06.005