triphenyltin 5-benzoylfuran-2-carboxylate | 733747-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: triphenyltin 5-benzoylfuran-2-carboxylate
• 英文别名: triphenylstannyl 5-benzoylfuran-2-carboxylate
• CAS: 733747-75-6
• 化学式: C₃₀H₂₂O₄Sn
• 分子量: 565.212
• InChiKey: JBECAQQALSDXAT-UHFFFAOYSA-M

物化性质

• 熔点：
  74-76 °C
• 沸点：
  623.2±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-苯甲酰基-2-呋喃羧酸 、 三苯基氢氧化锡 以 苯 为溶剂， 以67%的产率得到triphenyltin 5-benzoylfuran-2-carboxylate
  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