4-[(2-Hydroxy-naphthalen-1-ylmethyl)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one | 915775-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(2-Hydroxy-naphthalen-1-ylmethyl)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
• 英文别名: 4-[(2-Hydroxynaphthalen-1-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
• CAS: 915775-81-4
• 化学式: C₂₂H₂₁N₃O₂
• 分子量: 359.428
• InChiKey: IEEZXXHVLRMSKR-UHFFFAOYSA-N

物化性质

• 沸点：
  562.2±60.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(2-Hydroxy-naphthalen-1-ylmethyl)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one 、 copper dichloride 以 水 为溶剂， 生成
  参考文献：
  名称：

  Novel fluorescent sensor for detection of Cu(II) in aqueous solution

  摘要：

  A novel fluorescent chemosensor based on aminonaphthol, which can selectively recognize copper(II) over other metal ions in aqueous solution within a broad pH span, was synthesized. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.01.009
• 作为产物：
  描述：

  4-氨基安替比林 在 sodium tetrahydroborate 作用下， 生成 4-[(2-Hydroxy-naphthalen-1-ylmethyl)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Novel fluorescent sensor for detection of Cu(II) in aqueous solution

  摘要：

  A novel fluorescent chemosensor based on aminonaphthol, which can selectively recognize copper(II) over other metal ions in aqueous solution within a broad pH span, was synthesized. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.01.009

文献信息

• New Fluorescent Chemosensor Based on Exciplex Signaling Mechanism
  作者：Jia-Sheng Wu、Jian-Hua Zhou、Peng-Fei Wang、Xiao-Hong Zhang、Shi-Kang Wu

  DOI：10.1021/ol0504648

  日期：2005.5.1

  A novel fluorescent chemosensor (compound 1) containing aminonaphthol, which selectively recognizes fluoride anion with high sensitivity, was synthesized. The fluorescence of compound 1 was quenched rapidly by fluoride ion, and a new peak at a longer wavelength emerged concurrently, which constituted the signature for fluoride detection. The mechanism of exciplex formation was proposed for the interesting observation.