(N,N,N',N'-tetramethylethylenediamine)Li(2-(bis(trimethylsilyl)methylphosphido)phenyl-methyl-sulfide) | 496868-41-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (N,N,N',N'-tetramethylethylenediamine)Li(2-(bis(trimethylsilyl)methylphosphido)phenyl-methyl-sulfide)
• 英文别名: lithium;bis(trimethylsilyl)methyl-(2-methylsulfanylphenyl)phosphanide;N,N,N',N'-tetramethylethane-1,2-diamine
• CAS: 496868-41-8
• 化学式: C₂₀H₄₂LiN₂PSSi₂
• 分子量: 436.719
• InChiKey: CMCDOBFWSAYGPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  31.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (N,N,N',N'-tetramethylethylenediamine)Li(2-(bis(trimethylsilyl)methylphosphido)phenyl-methyl-sulfide) 、 tin(ll) chloride 以 四氢呋喃 为溶剂， 以90.3%的产率得到[((Me3Si)2CH)P(C6H4-2-SMe)]2Sn
  参考文献：
  名称：

  Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds

  摘要：

  The reaction between either GeCl2(1,4-dioxane) or SnCl2 and 2 equiv of the lithium phosphide [{(Me3Si)(2)CH}P(C6H4-2-SMe)]Li(tmeda) gives the corresponding diphosphatetrylenes [{(Me3Si)(2)CH}P(C6H4-2-SMe)}(2)E [E = Ge (10), Sn (11)] in good yields. Both 10 and 11 crystallize as discrete monomers in which the Ge and Sn atoms are coordinated by both P and S atoms. Although 10 and 11 crystallize as racemic mixtures of the RR and SS diastereomers, variable-temperature NMR experiments suggest that, in solution, these compounds are in dynamic equilibrium with small amounts of the corresponding RS and SR diastereomers. DFT calculations reveal that the lowest-energy minima for both 10 and 11 possess rac stereochemistry; two higher-energy minima were located for each of 10 and 11, both of which have meso stereochemistry. The two calculated meso diastereomers differ in the location of the sulfur and phosphorus substituents within the pseudo-trigonalbipyramidal structures. Both 10 and 11 decompose on exposure to light, generating the diphosphine {(Me3Si)(2)CH}(C6H4-2-SMe)P-P(C6H4-2-SMe){CH(SiMe3)(2)} (14) as the major product.

  DOI：

  10.1021/om2008327