tris(O-ethyl dithiocarbonato)-t-butylgermane | 152602-60-3

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: tris(O-ethyl dithiocarbonato)-t-butylgermane
• CAS: 152602-60-3
• 化学式: C₁₃H₂₄GeO₃S₆
• 分子量: 493.318
• InChiKey: MPBLYSTUZGZADL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  potassium ethyl xanthogenate 、 叔丁基-三氯-锗烷 以 二硫化碳 为溶剂， 以70%的产率得到tris(O-ethyl dithiocarbonato)-t-butylgermane
  参考文献：
  名称：

  Synthesis and characterization of dithiocarbonate (xanthate) derivatives of various methyl-, t-butyl- and n-butylgermanes. Crystal structures of MeGe[S2COEt]3·0.37CS2 and MeGe[S2CO(i-Pr)]3·0.50CS2

  摘要：

  The O-alkyl dithiocarbonate (xanthate) derivatives MeGe[S2COMe]3, MeGe[S2COEt]3, MeGe[S2CO(i-Pr)]3, t-BuGe[S2COEt]3, t-BuGe[S2CO(i-Pr)]3, n-Bu3Ge[S2COEt] and n-Bu3Ge[S2CO(i-Pr)] have been prepared in 64-70% yields by reaction of the sodium or potassium salt of the dithiocarbonic (xanthic) acid with trichloromethyl-, t-butyltrichloro- or tri-n-butylchlorogermane. The compounds were characterized by elemental analysis and infrared, Raman and H-1 and C-13 NMR spectroscopy. The molecular structures of MeGe[S2COEt]3 and MeGe[S2CO(i-Pr)]3 were determined and CS2 was found in the crystal lattices. MeGe[S2COEt]3.0.37CS2 (2), which crystallizes as monoclinic in space group P2(1)/c (No. 14), has the cell parameters a=12.253(8), b=7.520(4), c=24.32(1) angstrom, beta=103.74(4)degrees, V=2177(2) angstrom3, Z=4, R=0.0667, R(w)=0.0632. MeGe[S2CO(i-Pr)]3-0.50CS2 (3), which crystallizes as triclinicin space group P1BAR (No. 2), has the cell parameters a=14.81(1), b=14.82(1), c=14.04(1) angstrom, alpha=93.01(7), beta=114.19(5), gamma=60.09(4)degrees, V=2392(7) angstrom3, Z=4, R=0.0662, R(w)=0.0672. In both compounds, the immediate environment about germanium is very similar corresponding to a distorted tetrahedron in which the three monodentate dithiocarbonates subtend very similar angles so that the average of the three S-Ge-C angles is 115.9(2)degrees in 2 and 115.9(3)degrees in 3 and the average of the S-Ge-S angles is 102.3(2)degrees in both 2 and 3. The Ge-C bond is 1.92(2) angstrom in 2 and 1.91(1) and 1.92(1) angstrom in the two independent molecules in 3, and the Ge-S bonds average to 2.249(1) angstrom in 2 and 2.249(3) angstrom in 3. All of the dithiocarbonate groups are oriented in an identical fashion so that the average Ge---O distance is 2.93(1) in 2 and 2.916(6) angstrom in 3, with the non-bonded sulfur atoms turned away from the germanium center.

  DOI：

  10.1016/s0020-1693(00)82841-8