| 85775-60-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 85775-60-6
• 化学式: C₁₃H₁₁N₃O
• 分子量: 226.242
• InChiKey: MCPKSFINULVDNX-DYCDLGHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  50.94
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  紫外线吸收剂 UV-P 在 sodium methylate 乙醇-D1 作用下， 反应 1.0h， 以90%的产率得到
  参考文献：
  名称：

  （2-羟苯基）苯并三唑类紫外线稳定剂的光物理和光化学失活过程

  摘要：

  DOI：

  10.1021/j150667a017

文献信息

• Mechanism and kinetics of excited‐state relaxation in internally hydrogen‐bonded molecules: 2‐(2′‐hydroxy‐5′‐methylphenyl)‐benzotriazole in solution
  作者：Alan L. Huston、Gary W. Scott、Amitava Gupta

  DOI：10.1063/1.442844

  日期：1982.5.15

  We report the ground state absorption recovery kinetics (at 355 nm) and the fluorescence spectra and kinetics of 2-(2′-hydroxy-5′-methylphenyl)-benzotriazole (I) following excitation at 355 nm in several solvents at room temperature. Measured lifetimes range from 14 to 75 ps. Fluorescence lifetimes are shorter than the corresponding ground state recovery times, indicating the intervention of intermediate forms during the excited state relaxation process. The measured fluorescence quantum yield is lower than one predicted by the usual calculated radiative rate for the near UV, strongly absorbing singlet state of this molecule. Decay rates are slower in ethanol than in nonhydrogen bonding solvents indicating that external interference with the intramolecular hydrogen bond in (I) slows the relaxation rate. The room temperature decay rates are not strongly affected by the solvent viscosity. Deuteration of the molecule produces only a slightly more rapid ground state recovery rate than in the protonated species. A model involving excited state proton transfer is presented for the decay mechanism, rationalizing the known experimental data.