[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-dimethylcarbamimidoyl]azanide;methanidyl(trimethyl)silane;oxolane;yttrium(3+) | 1034671-16-3

• 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: [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-dimethylcarbamimidoyl]azanide;methanidyl(trimethyl)silane;oxolane;yttrium(3+)
• CAS: 1034671-16-3
• 化学式: C₃₉H₇₀N₃OSi₂Y
• 分子量: 742.081
• InChiKey: BTTYGRHHJLKBNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.62
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  bis(tetrahydrofuran)tris(trimethylsilylmethyl)yttrium(III) 、 2,3-bis(2,6-diisopropylphenyl)-1,1-dimethylguanidine 以 甲苯 为溶剂， 以78%的产率得到[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-dimethylcarbamimidoyl]azanide;methanidyl(trimethyl)silane;oxolane;yttrium(3+)
  参考文献：
  名称：

  Highly Efficient Hydrosilylation of Alkenes by Organoyttrium Catalysts with Sterically Demanding Amidinate and Guanidinate Ligands

  摘要：

  The sterically demanding guanidine ArNHC(Me(2))NAr (Ar = 2,6-diisopropylphenyl, HL) reacts with Y(CH(2)SiMe(3))(3)(THF)(2) to give the yttrium dialkyl complex (L)Y(CH(2)SiMe(3))(2)(THF) (1), which was structurally characterized. Electronic interaction of the -NMe(2) group with the conjugated ligand backbone can be inferred from structural and spectroscopic data. The new yttrium guanidinate complex 1 and its related amidinate analogue [PhC(NAr)(2)]Y(CH(2)SiMe(3))(2)(THF) (2) are highly active and selective catalysts for alkene hydrosilylation with PhSiH(3) (tof > 600 h(-1) at 23 degrees C). For unfunctionalized olefins, full selectivity toward anti-Markovnikov products was obtained. The more electron donating guanidinate ligand affords the highest activities with heteroatom-functionalized substrates.

  DOI：

  10.1021/om800032g

文献信息

• Highly Efficient Hydrosilylation of Alkenes by Organoyttrium Catalysts with Sterically Demanding Amidinate and Guanidinate Ligands
  作者：Shaozhong Ge、Auke Meetsma、Bart Hessen

  DOI：10.1021/om800032g

  日期：2008.7.1

  The sterically demanding guanidine ArNHC(Me(2))NAr (Ar = 2,6-diisopropylphenyl, HL) reacts with Y(CH(2)SiMe(3))(3)(THF)(2) to give the yttrium dialkyl complex (L)Y(CH(2)SiMe(3))(2)(THF) (1), which was structurally characterized. Electronic interaction of the -NMe(2) group with the conjugated ligand backbone can be inferred from structural and spectroscopic data. The new yttrium guanidinate complex 1 and its related amidinate analogue [PhC(NAr)(2)]Y(CH(2)SiMe(3))(2)(THF) (2) are highly active and selective catalysts for alkene hydrosilylation with PhSiH(3) (tof > 600 h(-1) at 23 degrees C). For unfunctionalized olefins, full selectivity toward anti-Markovnikov products was obtained. The more electron donating guanidinate ligand affords the highest activities with heteroatom-functionalized substrates.