triphenyltin 3-(furan-2-yl)propenoate | 733747-73-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: triphenyltin 3-(furan-2-yl)propenoate
• 英文别名: [Ph3Sn(3-(2-furanyl)-2-propenoate)]n；Ph3Sn(3-(2-furanyl)-2-propenoate)；triphenylstannyl 3-(furan-2-yl)prop-2-enoate
• CAS: 733747-73-4
• 化学式: C₂₅H₂₀O₃Sn
• 分子量: 487.142
• InChiKey: ARVYZLSYQCJRJF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  三苯基氢氧化锡 、 2-呋喃丙烯酸 以 苯 为溶剂， 以88%的产率得到triphenyltin 3-(furan-2-yl)propenoate
  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

• Organotin esters of 3-(2-furanyl)-2-propenoic acid: their characterization and biological activity
  作者：Muhammad Danish、Helmut G. Alt、Amin Badshah、Saqib Ali、Muhammad Mazhar、Nazar-ul-Islam

  DOI：10.1016/0022-328x(94)05050-l

  日期：1995.1

  Multinuclear NMR and Mössbauer spectroscopy have been carried out for d- and triorganotin carboxylates derived from 3-(-2-furanyl)-2-propenoic acid. Their spectroscopic characterization showd that triorganotin carboxylates are either 4-coordinate monomers or 5-coordinate polymers with bridging carboxylate groups. Although a polymeric structure is favoured for most compounds in the solid state, the

  已对衍生自3-（-2-呋喃基）-2-丙酸的d-和三有机锡的羧酸盐进行了多核NMR和Mössbauer光谱分析。他们的光谱特征表明三有机锡羧酸盐是具有桥联羧酸根基团的4-配位单体或5-配位聚合物。尽管大多数固态化合物都倾向于采用聚合物结构，但溶液研究表明它们在非配位溶剂中以单体4配位形式存在。通式为R 2 Sn（OOCCHCHC 4 H 3 O）2和二聚体[（R 2 SnOOCCHCHC 4 H 3 O）2 O] 2的二有机锡羧酸盐在非配位溶剂中，它们是五配位的，而在固相中，分子内或分子间的相互作用是可能的。此外，我们报告了二聚二锡氧烷中羧酸根阴离子的通量行为。这些有机锡羧酸盐的生物活性证明它们是强大的杀菌剂。