3-(di-n-butylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride | 1032716-40-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(di-n-butylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride
• 英文别名: 3-(dibutylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride；N,N-dibutyl-7-piperidin-1-ium-1-ylidenephenoxazin-3-amine;chloride
• CAS: 1032716-40-7
• 化学式: C₂₅H₃₄N₃O*Cl
• 分子量: 428.017
• InChiKey: IOCQLNXDWXRFEC-UHFFFAOYSA-M

物化性质

• 熔点：
  60-61 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  27.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3-甲氧基苯基)哌啶 在 盐酸 、 sodium nitrite 作用下， 以 水 、 异丙醇 为溶剂， 生成 3-(di-n-butylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride
  参考文献：
  名称：

  Third-order nonlinear optical properties of a new type of D–π–D unsymmetrical phenoxazinium chloride with resonance structures

  摘要：

  A new series of unsymmetrical phenoxazinium chlorides, featuring a heterocyclic aromatic pi-bridge with dialkylamino donors, were evaluated in acetonitrile solution for third-order nonlinear optical properties at 532 nm using a Z-scan technique. The title compounds exhibit strong reverse saturable absorption and nonlinear refraction. The third-order nonlinear optical properties were obtained under nanosecond and picosecond laser beams. The nonlinear mechanism is revealed by the excited-state nonlinearity, as observed from a picosecond pump-probe response experiment for one of the compounds. They are potential nonlinear optical materials because they also have good solubility in polar solvents and good thermal stability. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.chemphys.2011.02.013

文献信息

• Synthesis and in Vitro Antiprotozoal Activities of Water-Soluble, Inexpensive 3,7-Bis(dialkylamino)phenoxazin-5-ium Derivatives
  作者：Jian-Feng Ge、Chika Arai、Marcel Kaiser、Sergio Wittlin、Reto Brun、Masataka Ihara

  DOI：10.1021/jm8003619

  日期：2008.6.1

  3,7-Bis(dialkylamino)phenoxazinium salts were synthesized and evaluated for in vitro activities against Plasmodium falciparum, Trypanosoma cruzi, T. brucei rhodesiense, and Leishmania donovani. Notably, the compounds showed potent antiprotozoal activities, especially against P. falciparum and T cruzi. The compounds with alkyl side chains less than three carbons in length possessed good activities with high selective indices.
• Third-order nonlinear optical properties of a new type of D–π–D unsymmetrical phenoxazinium chloride with resonance structures
  作者：Jian-Feng Ge、Yue-Ting Lu、Qing-Feng Xu、Wu Liu、Na-Jun Li、Ru Sun、Ying-Lin Song、Jian-Mei Lu

  DOI：10.1016/j.chemphys.2011.02.013

  日期：2011.4

  A new series of unsymmetrical phenoxazinium chlorides, featuring a heterocyclic aromatic pi-bridge with dialkylamino donors, were evaluated in acetonitrile solution for third-order nonlinear optical properties at 532 nm using a Z-scan technique. The title compounds exhibit strong reverse saturable absorption and nonlinear refraction. The third-order nonlinear optical properties were obtained under nanosecond and picosecond laser beams. The nonlinear mechanism is revealed by the excited-state nonlinearity, as observed from a picosecond pump-probe response experiment for one of the compounds. They are potential nonlinear optical materials because they also have good solubility in polar solvents and good thermal stability. (C) 2011 Elsevier B. V. All rights reserved.