acetoveratrone

• 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: acetoveratrone
• 化学式: C₁₀H₁₁O₃
• 分子量: 179.196
• InChiKey: HWVFSWCDBXLSEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  溴代-3,4-二甲氧基苯乙酮 以 甲醇 、 水 为溶剂， 生成 acetoveratrone
  参考文献：
  名称：

  Jovanovic, S. V.; Renaud, J.; Berinstain, A. B., Canadian Journal of Chemistry, 1995, vol. 73, # 2, p. 223 - 231

  摘要：

  DOI：

文献信息

• Electrochemistry of Electron Transfer Probes. alpha-Aryloxyacetoveratrones and Implications for the Mechanism of Photo-yellowing of Pulp.
  作者：Mogens L. Andersen、Danial D. M. Wayner、Yves Dory、Jean Marc Chapuzet、Jean Lessard、André Tallec、Tatsuya Shono、H. Toftlund

  DOI：10.3891/acta.chem.scand.53-0830

  日期：——

  Standard potentials (E degrees) of a series of substituted alpha-aryloxyacetoveratrone derivatives have been determined from a correlation of the C-13 NMR chemical shifts of the carbonyl group and a similar correlation (E degrees vs. C-13 NMR shifts) within a series of alpha-anilinoacetoveratrones. Using these potentials the rate constants for fragmentation of the radical anions were determined by digital simulation of the voltammetric waves. The rate contants for C-O cleavage in the radical anions correlate with the pK(a) of the corresponding phenols. The fragmentations are all in the activated region of a general free energy relationship for this class of compound (alpha=0.5). The standard potential and rate constant for fragmention of the alpha-guaiacoxyacetoveratrone radical anion also were determined. This species is a model compound for one of the lignin substructures. The implication of these results on the currently accepted mechanism for photoyellowing of lignin rich paper is discussed.