5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol | 498572-79-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol
• 英文别名: 5-(tert-butyldiphenylsilyloxy)-2-ethyl-1-hexanol；1-Hexanol, 5-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-2-ethyl-；5-[tert-butyl(diphenyl)silyl]oxy-2-ethylhexan-1-ol
• CAS: 498572-79-5
• 化学式: C₂₄H₃₆O₂Si
• 分子量: 384.634
• InChiKey: KOVPBEYLZFNMFK-UHFFFAOYSA-N

物化性质

• 沸点：
  447.2±37.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 144.0h， 生成 单(2-乙基-5-羟基己基)邻苯二甲酸酯-d4
  参考文献：
  名称：

  (2-Ethyl-5-oxo-hexyl) Methylthiomethyl Phthalate as By-product of the Swern Oxidation: Improved Synthesis of Ring-deuterated Major Metabolites of Bis(2-ethylhexyl) Phthalate

  摘要：

  Two ring-deuterated major metabolites of bis(2-ethylhexyl) phthalate were obtained in excellent yields by means of an improved oxidation procedure. The by-product of their interconversion by Swern oxidation is elucidated and a possible mechanism of its formation is proposed.

  DOI：

  10.1007/s00706-003-0044-y
• 作为产物：
  描述：

  1-(tert-butyldimethylsilyloxy)-2-ethyl-5-(tert-butyldiphenylsilyloxy)hexane 在 4-甲基苯磺酸吡啶 作用下， 以 乙醇 为溶剂， 反应 66.0h， 以76%的产率得到5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol
  参考文献：
  名称：

  Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate

  摘要：

  The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.

  DOI：

  10.1007/s007060200084

文献信息

• (2-Ethyl-5-oxo-hexyl) Methylthiomethyl Phthalate as By-product of the Swern Oxidation: Improved Synthesis of Ring-deuterated Major Metabolites of Bis(2-ethylhexyl) Phthalate
  作者：Hans-Detlev Gilsing、J�rgen Angerer、Dietrich Prescher

  DOI：10.1007/s00706-003-0044-y

  日期：2003.9.1

  Two ring-deuterated major metabolites of bis(2-ethylhexyl) phthalate were obtained in excellent yields by means of an improved oxidation procedure. The by-product of their interconversion by Swern oxidation is elucidated and a possible mechanism of its formation is proposed.
• Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate
  作者：Hans-Detlev Gilsing、Jürgen Angerer、Dietrich Prescher

  DOI：10.1007/s007060200084

  日期：2002.8.1

  The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.