2,2,4-Trimethyl-4-(4'-trimethylsilyloxyphenyl)chromane

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2,2,4-Trimethyl-4-(4'-trimethylsilyloxyphenyl)chromane
• 英文别名: trimethyl-[4-(2,2,4-trimethyl-3H-chromen-4-yl)phenoxy]silane
• 化学式: C₂₁H₂₈O₂Si
• 分子量: 340.538
• InChiKey: DTGWIOJBZIKGLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.77
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,O-双三甲硅基乙酰胺 、 4-氨基-6-羟基吡唑-(3,4-d)嘧啶 反应 0.5h， 生成 2,2,4-Trimethyl-4-(4'-trimethylsilyloxyphenyl)chromane
  参考文献：
  名称：

  Theortho effect in the mass spectra ofortho/para isomers of bisphenol a derivatives and related compounds

  摘要：

  AbstractNew examples of the ortho effect in bisphenol A derivatives including interaction of the hydrogen of the ortho‐hydroxy group with the neighbouring aromatic ring have been observed. The characteristic ions [M  PhOH]+middot; (m/z = 134) and [M  CH3  PhOH]+ (m/z = 119) were shown to form through the hydrogen transfer from hydroxy and isopropyl groups, respectively. The spectra of cyclic derivatives having ortho‐hydroxy functions show [M  43]+, [M  C8H9O]+, m/z = 147, m/z = 135 and [M  C9H10O]+ ions. The proposed mechanims of the corresponding transformations were supported by mass spectra of deuterated analogues, methyl and trimethyl silyl ethers.

  DOI：

  10.1002/oms.1210290105

文献信息

• Theortho effect in the mass spectra ofortho/para isomers of bisphenol a derivatives and related compounds
  作者：Alexandra P. Pleshkova、Marina N. Uspenskaya、Sergei V. Volkovitch

  DOI：10.1002/oms.1210290105

  日期：1994.1

  AbstractNew examples of the ortho effect in bisphenol A derivatives including interaction of the hydrogen of the ortho‐hydroxy group with the neighbouring aromatic ring have been observed. The characteristic ions [M  PhOH]+middot; (m/z = 134) and [M  CH3  PhOH]+ (m/z = 119) were shown to form through the hydrogen transfer from hydroxy and isopropyl groups, respectively. The spectra of cyclic derivatives having ortho‐hydroxy functions show [M  43]+, [M  C8H9O]+, m/z = 147, m/z = 135 and [M  C9H10O]+ ions. The proposed mechanims of the corresponding transformations were supported by mass spectra of deuterated analogues, methyl and trimethyl silyl ethers.