三苯基甲锡烷基吡啶-4-羧酸酯 | 59867-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 三苯基甲锡烷基吡啶-4-羧酸酯
• 英文名称: triphenyltin 4-pyridinecarboxylate
• 英文别名: 4-pyridinecarboxylic acid triphenyltin ester；4-{[(Triphenylstannyl)oxy]carbonyl}pyridine；triphenylstannyl pyridine-4-carboxylate
• CAS: 59867-32-2
• 化学式: C₂₄H₁₉NO₂Sn
• 分子量: 472.13
• InChiKey: QQRXSSLWQKZHLG-UHFFFAOYSA-M

物化性质

• 熔点：
  192-196 °C(Solv: methanol (67-56-1))
• 沸点：
  524.2±42.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异烟酸 、 三苯基氢氧化锡 以 苯 为溶剂， 以81%的产率得到三苯基甲锡烷基吡啶-4-羧酸酯
  参考文献：
  名称：

  Synthesis and characterization of triphenyltin esters of heteroaromatic carboxylic acids and the crystal structure of [Ph3SnO2CC5H4N·0.5H2O]∞

  摘要：

  The reaction of triphenyltin hydroxide with 2-furanyl, 2-furanvingl, 2-(5-terbutyl) furanyl, 2-(5-benzoyl) furanyl, 2-pyridinyl, 4-pyridinyl, 3-indolyl, 3-indolmethyl, 3-indolethyl and 3-indolpropyl carboxylates in 1:1 stoichiometry yields triphenyltin esters of heteroaromatic carboxylic acids Ph3SnO2CR. All compounds are characterized by elemental analysis, IR and H-1 NMR. The crystal structure of the triphenyltin ester of 4-pyridinyl carboxylic acid (6) is determined by single crystal X-ray diffraction. In compound (6), the tin atom is rendered five-coordinate in a trigonal bipyramidal structure by coordinating with the 4-pyridinyl carboxlate group. The resulting structure is a linear polymer containing Sn-O bond lengths of 0.2160(5)-0.2166(5) nm and Sn-N bond lengths of 0.2512(6)-0.2612(6) nm. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.04.012

文献信息

• Synthesis and characterization of triphenyltin esters of heteroaromatic carboxylic acids and the crystal structure of [Ph3SnO2CC5H4N·0.5H2O]∞
  作者：Han-Dong Yin、Chuan-Hua Wang、Qiu-Ju Xing

  DOI：10.1016/j.poly.2004.04.012

  日期：2004.6

  The reaction of triphenyltin hydroxide with 2-furanyl, 2-furanvingl, 2-(5-terbutyl) furanyl, 2-(5-benzoyl) furanyl, 2-pyridinyl, 4-pyridinyl, 3-indolyl, 3-indolmethyl, 3-indolethyl and 3-indolpropyl carboxylates in 1:1 stoichiometry yields triphenyltin esters of heteroaromatic carboxylic acids Ph3SnO2CR. All compounds are characterized by elemental analysis, IR and H-1 NMR. The crystal structure of the triphenyltin ester of 4-pyridinyl carboxylic acid (6) is determined by single crystal X-ray diffraction. In compound (6), the tin atom is rendered five-coordinate in a trigonal bipyramidal structure by coordinating with the 4-pyridinyl carboxlate group. The resulting structure is a linear polymer containing Sn-O bond lengths of 0.2160(5)-0.2166(5) nm and Sn-N bond lengths of 0.2512(6)-0.2612(6) nm. (C) 2004 Elsevier Ltd. All rights reserved.