3,5-ditertbutylpyrocatechinmethylphosphonate | 146399-33-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 3,5-ditertbutylpyrocatechinmethylphosphonate
• 英文别名: 2-Methoxy-2-oxo-(3,5-di-tert-butyl)benzo-1,3,2-dioxaphospholin；4,6-ditert-butyl-2-methoxy-1,3,2λ5-benzodioxaphosphole 2-oxide
• CAS: 146399-33-9
• 化学式: C₁₅H₂₃O₄P
• 分子量: 298.319
• InChiKey: LPOQQIQMONCIQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,5-ditertbutylpyrocatechinmethylphosphonate 在 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以90%的产率得到2-oxy-3,5-ditertbutyl-phenylmethylphosphonate
  参考文献：
  名称：

  Nifantyev, E. E.; Kukhareva, T. S.; Soldatova, I. A., Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 60, # 1.2, p. 125 - 129

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二叔丁基邻苯醌 在 水 作用下， 以 氘代氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 3,5-ditertbutylpyrocatechinmethylphosphonate
  参考文献：
  名称：

  Semiquantitative Determination of Quinonoid Structures in Isolated Lignins by ³¹P Nuclear Magnetic Resonance

  摘要：

  A semiquantitative analytical method has been developed for the determination of the total quinonoid content; (o-benzoquinones and p-benzoquinones) of soluble lignins. The method is based on detailed measurements and observations made with model o- and p-quinones, which in dry organic solvents were shown to form adducts with trimethyl phosphite in quantitative yield. These adducts gave P-31 NMR signals for o- and p-quinones at around -46 and -2 ppm, respectively. In the presence of moisture and lignin the adducts from o-quinones were shown to be hydrolyzed to the open ring product, dimethylphenyl phosphate (-2 ppm), at an overall yield of similar to 70%. Similarly, the hydrolysis yields of p-quinone adducts with trimethyl phosphite were similar to 70%. Consequently, a number of important issues in relation to the use of trimethyl phosphite toward the quantitative analysis of quinonoid groups in lignins have been investigated, which permitted the development of an experimental semiquantitative protocol recommended for spectral acquisition.

  DOI：

  10.1021/jf9804802

文献信息

• Well, Michael; Fischer, Axel; Jones, Peter G., Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 71, # 1, p. 143 - 156
  作者：Well, Michael、Fischer, Axel、Jones, Peter G.、Schmutzler, Reinhard

  DOI：——

  日期：——