Dimethylphenyl-trimethylsilylmethylen-phosphoran | 54294-40-5

• 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: Dimethylphenyl-trimethylsilylmethylen-phosphoran
• 英文别名: (Trimethylsilylmethylen)dimethylphenylphosphoran；Me2PhPCHSiMe3；Dimethyl(phenyl)[(trimethylsilyl)methylidene]-lambda~5~-phosphane；dimethyl-phenyl-(trimethylsilylmethylidene)-λ5-phosphane
• CAS: 54294-40-5
• 化学式: C₁₂H₂₁PSi
• 分子量: 224.358
• InChiKey: WTMYEIAGCNZTQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  bis(pentamethylcyclopentadienyl)ytterbium 、 Dimethylphenyl-trimethylsilylmethylen-phosphoran 以 甲苯 为溶剂， 以55%的产率得到bis(pentamethylcyclopentadienyl)ytterbium(Me2PhPCHSiMe3)
  参考文献：
  名称：

  Solution-State Interactions of Bis(pentamethylcyclopentadienyl)ytterbium, Cp*2Yb, with Trialkylphosphines and R3PX Complexes (X = O, NR', CHR'')

  摘要：

  The interactions formed between Cp*Yb-2 (1) and phosphines and R(3)PX derivatives (X = O, NR', CHR'') in solution have been investigated using multinuclear (H-1, C-13, P-31, Yb-171) and variable-temperature NMR spectroscopy. Intermolecular exchange can be slowed at low temperature for 1:1 and 1:2 phosphine adducts, with a (1)J(YbP) value of ca. 950 Hz for Cp*Yb-2(PEt(3)) (3) and Cp*Yb-2(PMe(3)) (4) and ca. 600 Hz for Cp*Yb-2(PMe(3))(2) (2), Cp*Yb-2(dmpm) (dmpm = Me(2)PCH(2)PMe(2)) (5), and Cp*Yb-2(1,2-(PMe(2))(2)C6H4) (6) Adducts of 1 with Me(3)PO and Et(3)PNH undergo slow intermolecular exchange in solution at 25 degrees C (NMR time scale); both 1:1 adducts (Cp*Yb-2(OPMe(3)), 7; Cp*Yb-2(HNPEt(3)), 9) and 1:2 adducts (Cp*Yb-2(OPMe(3))(2), 8; Cp*Yb-2(HNPEt(3))(2), 10) have been isolated. The spectroscopic properties of two ylide adducts, Cp*Yb-2(Me(2)PhPCHSiMe(3)) (12) and Cp*Yb-2(Me(2)LPhPCH(2)) (13), have also been investigated. Intermolecular exchange can be slowed at low temperature in both cases; in the former complex a second process, resulting in inequivalent Cp* rings and inequivalent P-bound methyl groups, can also be slowed at lower temperatures. The nature of this process is discussed in detail. The solid-state structure of 12 has been determined. The NMR values for all of the complexes are discussed in detail. In addition, the Yb-171 chemical shifts for 6, 7, and 12 have been measured, via H-1/Yb-171 indirect detection utilizing long-range J(YbH) coupling, and are discussed.

  DOI：

  10.1021/om00009a039

文献信息

• Solution-State Interactions of Bis(pentamethylcyclopentadienyl)ytterbium, Cp*2Yb, with Trialkylphosphines and R3PX Complexes (X = O, NR', CHR'')
  作者：David J. Schwartz、Richard A. Andersen

  DOI：10.1021/om00009a039

  日期：1995.9

  The interactions formed between Cp*Yb-2 (1) and phosphines and R(3)PX derivatives (X = O, NR', CHR'') in solution have been investigated using multinuclear (H-1, C-13, P-31, Yb-171) and variable-temperature NMR spectroscopy. Intermolecular exchange can be slowed at low temperature for 1:1 and 1:2 phosphine adducts, with a (1)J(YbP) value of ca. 950 Hz for Cp*Yb-2(PEt(3)) (3) and Cp*Yb-2(PMe(3)) (4) and ca. 600 Hz for Cp*Yb-2(PMe(3))(2) (2), Cp*Yb-2(dmpm) (dmpm = Me(2)PCH(2)PMe(2)) (5), and Cp*Yb-2(1,2-(PMe(2))(2)C6H4) (6) Adducts of 1 with Me(3)PO and Et(3)PNH undergo slow intermolecular exchange in solution at 25 degrees C (NMR time scale); both 1:1 adducts (Cp*Yb-2(OPMe(3)), 7; Cp*Yb-2(HNPEt(3)), 9) and 1:2 adducts (Cp*Yb-2(OPMe(3))(2), 8; Cp*Yb-2(HNPEt(3))(2), 10) have been isolated. The spectroscopic properties of two ylide adducts, Cp*Yb-2(Me(2)PhPCHSiMe(3)) (12) and Cp*Yb-2(Me(2)LPhPCH(2)) (13), have also been investigated. Intermolecular exchange can be slowed at low temperature in both cases; in the former complex a second process, resulting in inequivalent Cp* rings and inequivalent P-bound methyl groups, can also be slowed at lower temperatures. The nature of this process is discussed in detail. The solid-state structure of 12 has been determined. The NMR values for all of the complexes are discussed in detail. In addition, the Yb-171 chemical shifts for 6, 7, and 12 have been measured, via H-1/Yb-171 indirect detection utilizing long-range J(YbH) coupling, and are discussed.