fac-Ru[OC₆H₃{C(CH₂-2)(iPr-6)-κ¹O, η³C¹,C²,C³}(PMe₃)₄] | 1565796-29-3

• 英文名称: fac-Ru[OC₆H₃{C(CH₂-2)(iPr-6)-κ¹O, η³C¹,C²,C³}(PMe₃)₄]
• CAS: 1565796-29-3
• 化学式: C₂₁H₄₁OP₃Ru
• 分子量: 503.547
• InChiKey: XUFIJDDEMHZFQP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  fac-Ru[OC₆H₃{C(CH₂-2)(iPr-6)-κ¹O, η³C¹,C²,C³}(PMe₃)₄] 在 三甲基膦 作用下， 反应 12.0h， 以99%的产率得到Ru[OC₆H₃(CMe=CH-2)(iPr-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
• 作为产物：
  描述：

  Ru[OC₆H₃(CMe=CH-2)(iPr-6)-κ¹O,η¹C](PMe₃)₄ 以10%的产率得到fac-Ru[OC₆H₃{C(CH₂-2)(iPr-6)-κ¹O, η³C¹,C²,C³}(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