potassium 2,6-diethylphenoxide | 1565796-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: potassium 2,6-diethylphenoxide
• 英文别名: Potassium;2,6-diethylphenolate
• CAS: 1565796-36-2
• 化学式: C₁₀H₁₃O*K
• 分子量: 188.311
• InChiKey: ASFDAVPDOMIBQQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.11
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  RuCl2(PMe3)4 、 potassium 2,6-diethylphenoxide 以 四氢呋喃 为溶剂， 反应 22.0h， 以48%的产率得到Ru[OC₆H₃(CH₂-2)(Me-6)-κ¹O,η¹C](PMe₃)₄
  参考文献：
  名称：

  Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes

  摘要：

  The metathetical reaction between cis-RuCl2(PMe3)(4) and an excess amount of potassium 2,6-dimethylphenoxide rapidly produces an oxaruthenacycle by the sp(3) C-H bond cleavage reaction of the o-methyl group. With potassium 2,6-diethyl- and 2,6-diisopropylphenoxides, multiple C-H bond cleavage of o-alkyl groups occurs to give unsaturated oxaruthenacycles. These multiple activations are triggered by the sp(3) C-H bond cleavage of the o-alkyl group from bis(2,6-dialkylphenoxo)ruthenium(II) to form a saturated ruthenacycle followed by beta-hydride elimination and dehydrogenation from the resulting (2-alkeny1-6-alkylphenoxo)(hydrido)ruthenium(II) intermediate.

  DOI：

  10.1021/om5000248

文献信息

• Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes
  作者：Masafumi Hirano、Yasuto Yanagisawa、Endin Mulyadi、Nobuyuki Komine、Sanshiro Komiya

  DOI：10.1021/om5000248

  日期：2014.3.10

  The metathetical reaction between cis-RuCl2(PMe3)(4) and an excess amount of potassium 2,6-dimethylphenoxide rapidly produces an oxaruthenacycle by the sp(3) C-H bond cleavage reaction of the o-methyl group. With potassium 2,6-diethyl- and 2,6-diisopropylphenoxides, multiple C-H bond cleavage of o-alkyl groups occurs to give unsaturated oxaruthenacycles. These multiple activations are triggered by the sp(3) C-H bond cleavage of the o-alkyl group from bis(2,6-dialkylphenoxo)ruthenium(II) to form a saturated ruthenacycle followed by beta-hydride elimination and dehydrogenation from the resulting (2-alkeny1-6-alkylphenoxo)(hydrido)ruthenium(II) intermediate.