2-trimethylsiloxycarbonyl-1-trimethylsiloxynaphthalene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-trimethylsiloxycarbonyl-1-trimethylsiloxynaphthalene
• 英文别名: 1-(Trimethylsilyl)oxy-2-naphthoic acid trimethylsilyl ester；trimethylsilyl 1-trimethylsilyloxynaphthalene-2-carboxylate
• 化学式: C₁₇H₂₄O₃Si₂
• 分子量: 332.547
• InChiKey: VOQDDXJNIUGFKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙基二氯磷酸酯 、 2-trimethylsiloxycarbonyl-1-trimethylsiloxynaphthalene 生成 2-ethoxynaphtho[1,2-d]-1,3,2-dioxaphosphorin-4-one
  参考文献：
  名称：

  1,3,2(1,4,2)-Dioxaphosphepins annelated with naphthalene fragment: Synthesis and steric structure

  摘要：

  Reaction of hexafluoroacetone and chloral with 2-R-naphtho-1,3,2-dioxaphosphorin-4-ones yields 2-R-2,5-dioxo-4,4-bis(trifluoromethyl)naphtho-1,3,2- and 2-R-2,5-dioxo-3-trichloromethylnaphtho-1,4,lambda(5)-dioxaphosphepins. Hydrolysis of the fluorophosphepins gives naphthyl -substituted fluorinated hydroxy ketones. The steric structure of the dioxaphosphepins and some fluorinated ketones was confirmed by single crystal X-ray diffraction. A competition between the pi-pi and halogen-halogen interactions and hydrogen bonds of classic type in the formation of crystal packing and supramolecular structure was revealed.

  DOI：

  10.1134/s107036320704007x
• 作为产物：
  描述：

  三甲基氯硅烷 、 1-羟基-2-萘甲酸 在 三乙胺 作用下， 以 苯 为溶剂， 反应 8.0h， 生成 2-trimethylsiloxycarbonyl-1-trimethylsiloxynaphthalene
  参考文献：
  名称：

  1,3,2(1,4,2)-Dioxaphosphepins annelated with naphthalene fragment: Synthesis and steric structure

  摘要：

  Reaction of hexafluoroacetone and chloral with 2-R-naphtho-1,3,2-dioxaphosphorin-4-ones yields 2-R-2,5-dioxo-4,4-bis(trifluoromethyl)naphtho-1,3,2- and 2-R-2,5-dioxo-3-trichloromethylnaphtho-1,4,lambda(5)-dioxaphosphepins. Hydrolysis of the fluorophosphepins gives naphthyl -substituted fluorinated hydroxy ketones. The steric structure of the dioxaphosphepins and some fluorinated ketones was confirmed by single crystal X-ray diffraction. A competition between the pi-pi and halogen-halogen interactions and hydrogen bonds of classic type in the formation of crystal packing and supramolecular structure was revealed.

  DOI：

  10.1134/s107036320704007x