Me3Sn(1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol(1-)) | 726181-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Me3Sn(1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol(1-))
• 英文别名: 4-(5-trimethylstannylsulfanyltetrazol-1-yl)phenol
• CAS: 726181-08-4
• 化学式: C₁₀H₁₄N₄OSSn
• 分子量: 357.023
• InChiKey: YDRWNAUYCGRXIZ-UHFFFAOYSA-M

物化性质

• 熔点：
  118-120 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  438.1±47.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.83
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  三甲基氯化锡 、 1-(4-羟基苯基)-5-巯基-四氮唑 在 sodium ethoxide 作用下， 以 乙醇 为溶剂， 以65%的产率得到Me3Sn(1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol(1-))
  参考文献：
  名称：

  Hydrogen bonding and π–π stacking interaction in the coordination of sulfur and nitrogen donor heterocycle to organotin(IV): syntheses and crystal structures of di- and triorganotin(IV) derivatives with 1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol

  摘要：

  A series of organotin(IV) complexes with 1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol of the type, RnSn[S(C7H5N4O)](4-n).L(n = 3, L = 0: R = Me (1), n-Bu (2), Ph (3); n = 3, L = 0.5C(2)H(5)OH.0.5H(2)O, R = PhCH2 (4); n = 2, L = H2O, R = Me (5); n = 2, L = 0: R = n-Bu (6), Ph (7), PhCH2 (8)) have been synthesized. All the complexes 1-8 have been characterized by elemental, IR and H-1 NMR analyses. Among them complexes 3, 4, 5 and 6 have also been characterized by X-ray crystallography diffraction analyses, which revealed the 1D ribbons of complexes 3 and 5 and the 2D network of complex 6 due to the versatile intermolecular hydrogen bonds O-H...X (X = O, N, S) in the crystallographic structures. Moreover, strong pi-pi stacking interactions are found in complexes 4 and 5. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.03.003