| 1202633-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1202633-61-1
• 化学式: C₁₈H₃₁NO₃Sn
• 分子量: 428.159
• InChiKey: QROIHRLURCJSHO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  23.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59.42
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-羟基烟酸 、 三丁基氯化锡 在 sodium ethoxide 作用下， 以 甲醇 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  Self-assembly syntheses and crystal structures of triorganotin(IV) pyridinecarboxylate: 1D polymers and a 42-membered macrocycle

  摘要：

  A series of new triorganotin(IV) pyridinecarboxylates with 6-hydroxynicotinic acid (6-OH-3-nicH), 5-hydroxynicotinic acid (5-OH-3-nicH) and 2-hydroxyisonicotinic acid (2-OH-4-isonicH) of the types: [R3Sn (6-OH-3-nic)center dot L](n) (I) (R = Ph, L = Ph center dot EtOH, 1; R = Bn, L = H2O center dot EtOH, 2; R = Me, L = 0, 3; R = n-Bu, L = 0, 4), [R3Sn (5-OH-3-nic)](n) (II) (R = Ph, 5; R = Bn, 6; R = Me, 7; R = n-Bu, 8), [R3Sn (2-OH-4-isonic center dot L)](n) (III) (R = Bn, 9, L = MeOH; R = Me, L = 0, 10; R = Ph, 11, L = 0.5EtOH) have been synthesized. All the complexes were characterized by elemental analysis, TGA, IR and NMR (H-1, C-13, Sn-119) spectroscopy analyses. Among them, except for complexes 5 and 6, all complexes were also characterized by X-ray crystallography diffraction analysis. Crystal structures show that complexes 1-10 adopt 1D infinite chain structures which are generated by the bidentate O, O or N, O and the five-coordinated tin centers. Significant O-H center dot center dot center dot O, and N-H center dot center dot center dot O intermolecular hydrogen bonds stabilize these structures. Complex 11 is a 42-membered macrocycle containing six tin atoms, and forms a 2D network by intermolecular N-H center dot center dot center dot O hydrogen. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.001