tri(n-butyl)germanium(IV)(1H-5-mercapto-1,2,3-triazolate) | 745810-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tri(n-butyl)germanium(IV)(1H-5-mercapto-1,2,3-triazolate)
• 英文别名: tributyl(2H-triazol-4-ylsulfanyl)germane
• CAS: 745810-21-3
• 化学式: C₁₄H₂₉GeN₃S
• 分子量: 344.06
• InChiKey: YNZHPTARESVJBF-UHFFFAOYSA-N

物化性质

• 熔点：
  49-51 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
• 沸点：
  417.9±37.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.24
• 重原子数：
  19.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  三丁基氯化锗 、 5-巯基-1,2,3-三氮唑单钠盐 以 苯 为溶剂， 以71%的产率得到tri(n-butyl)germanium(IV)(1H-5-mercapto-1,2,3-triazolate)
  参考文献：
  名称：

  Syntheses, characterizations and crystal structures of new triorgano-tin or -germanium complexes with 1H-5-mercapto-1,2,3-triazolato

  摘要：

  A series of triorganotin and triorganogermanium(IV) complexes with 1H-5-mercapto-1,2,3-triazolato, of the type R3MSC2H2N3 (M = Sn, R = CH3 (1); C2H5 (2); n-C4H9, (3); C6H5, (4); M = Ge, R = CH3, (5); C2H5, (6); n-C4H9, (7); C6H5, (8)), have been synthesized. All the complexes 1-8 have been characterized by elemental, IR and H-1 NMR analyses. Among them complexes 4 and 8 have also been characterized by X-ray crystallography diffraction analyses, which revealed that the Sn and Ge atom environments are distorted tetrahedral coordination polyhedrons, coordinated to three phenyl groups and to one sulfur atom of the ligand. The packing of complexes 4 and 8 is stabilized into a one-dimensional infinite chain by intermolecular N-(HN)-N-... hydrogen bonds. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.05.005