2-(diisothiocyanatogermyl)-1,3-diisopropyl-4,5-dimethyl-2,3-dihydro-1H-imidazole | 1067499-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(diisothiocyanatogermyl)-1,3-diisopropyl-4,5-dimethyl-2,3-dihydro-1H-imidazole
• CAS: 1067499-11-9
• 化学式: C₁₃H₂₀GeN₄S₂
• 分子量: 369.051
• InChiKey: RDJZVVLLOGQSOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  31.2
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  dichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)germanium(II) 、 potassium thioacyanate 以 四氢呋喃 为溶剂， 以82%的产率得到2-(diisothiocyanatogermyl)-1,3-diisopropyl-4,5-dimethyl-2,3-dihydro-1H-imidazole
  参考文献：
  名称：

  Synthesis and Structure of N-Heterocyclic Carbene Complexes of Germanium(II)

  摘要：

  The synthesis and structural characterization of a series of N-heterocyclic carbene (NHC) complexes of GeR1R2 are reported, where R-1 = R-2 = Mes (Mes = 2,4,6-trimethylphenyl) (1), R-1 = R-2 = F (5), R-1 = R-2 = Br (6), R-1 = Cl, R-2 = OTf (OTf = O3SCF3) (7), R-1 = R-2 = (OBu)-Bu-t (10), and R-1 = R-2 = NCS (11). The bond length between the carbenic carbon and the germanium is observed to vary in accordance with the pi-donating ability of the substituent on Ge. Efforts to synthesize stable complexes with small alkyl or aryl substituents were not successful; evidence for oligomerization of the GeR2 fragment is presented. The reaction between 1 and 3 (R-1 = R-2 = Cl) resulted in the formation of an NHC-coordinated germylgermylene (13). The H-1 NMR spectra of 3-7, 10, and 11 display broad signals at room temperature. To rationalize the H-1 NMR spectra, mechanisms for conformational interchange, as well as intermolecular exchanges, are discussed.

  DOI：

  10.1021/om800368d