trihydroxy-2,3,6-methyl-4-benzaldehyde | 15918-52-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: trihydroxy-2,3,6-methyl-4-benzaldehyde
• 英文别名: Thamnol；2,3,6-trihydroxy-4-methyl-benzaldehyde；2,3,6-Trihydroxy-4-methylbenzaldehyde
• CAS: 15918-52-2
• 化学式: C₈H₈O₄
• 分子量: 168.149
• InChiKey: BATFCETZIPDVPP-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C
• 沸点：
  295.5±35.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  trihydroxy-2,3,6-methyl-4-benzaldehyde 在 palladium on activated charcoal 氢气 、 三氟乙酸酐 作用下， 以 乙酸乙酯 为溶剂， 反应 4.5h， 生成 acide decarboxythamnolique
  参考文献：
  名称：

  乙酰胺酸合成腺苷

  摘要：

  脱羧氨基磺酸的合成

  DOI：

  10.1002/hlca.19880710424
• 作为产物：
  描述：

  壬酸 生成 trihydroxy-2,3,6-methyl-4-benzaldehyde
  参考文献：
  名称：

  A new inverse method and application to ocean data

  摘要：

  A new method is proposed to inverse normalization data of hidden variables in a dynamical system by embedding a time series in multidimensional spaces and applying a normalization analysis to the conditional probability density of points in the reconstructed phase spaces, The method is robust in the application to Lorenz system and 4-dimensional Rossler system by testing quantitatively and qualitatively the correlation coefficient between inverse data and original data in time domain and in frequency domain, respectively. By applying the method to analyzing the South China Sea data, the normalization data of wind speed is extracted from the sea surface temperature time series.

  DOI：

  10.1007/bf02876208

文献信息

• �ber die Konstitution der Diploschistess�ure
  作者：Georg Koller、Hermann Hamburg

  DOI：10.1007/bf01522075

  日期：1934.12
• Asahina; Ihara, Chemische Berichte, 1932, vol. 65, p. 55
  作者：Asahina、Ihara

  DOI：——

  日期：——
• Asahina; Fuzikawa, Chemische Berichte, 1932, vol. 65, p. 58
  作者：Asahina、Fuzikawa

  DOI：——

  日期：——
• PULGARIN, CESAR;TABACCHI, RAFFAELE, HELV. CHIM. ACTA, 71,(1988) N 4, 876-880
  作者：PULGARIN, CESAR、TABACCHI, RAFFAELE

  DOI：——

  日期：——
• A new inverse method and application to ocean data
  作者：Enbo Wei、Jiwei Tian、Guoqing Gu

  DOI：10.1007/bf02876208

  日期：2001.6

  A new method is proposed to inverse normalization data of hidden variables in a dynamical system by embedding a time series in multidimensional spaces and applying a normalization analysis to the conditional probability density of points in the reconstructed phase spaces, The method is robust in the application to Lorenz system and 4-dimensional Rossler system by testing quantitatively and qualitatively the correlation coefficient between inverse data and original data in time domain and in frequency domain, respectively. By applying the method to analyzing the South China Sea data, the normalization data of wind speed is extracted from the sea surface temperature time series.