| 616872-24-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• CAS: 616872-24-3
• 化学式: C₂₆H₃₉NO₆S₂Sn
• 分子量: 644.441
• InChiKey: KZOJICUPBCNSBD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-(1,3-dithiolan-2-ylidene)-5-(4-nitrophenyl)-3-oxopent-4-enoic acid 、 三丁基氧化锡 以 苯 为溶剂， 以58.2%的产率得到
  参考文献：
  名称：

  Syntheses and Characterization of Tributyltin(IV) Carboxylates Containing α‐Oxoketene Cyclic Dithioacetals

  摘要：

  Five aquatributyltin-2-(dialkylthio)methylene-3-oxo-5-aryl-4-pentenoates (3) were synthesized and characterized by IR spectra, H-1 NMR spectra, C-13 NMR spectra and elemental analyses. The IR spectra of (3) show strong O-H stretching modes in the region of 3384-3455 cm(-1). In the H-1 NMR spectra of (3), signals due to the protons of an alpha-oxoketene dithioacetal segment shift upfield compared to those of free acids (2). This is indicative of the formation of the tin ester complexes. The structure of 4-O2N-C6H4CH=CHCOC(C3H4S2)CO2Sn(C4H9)(3).(H2O) (3d) was determined by X-ray diffraction and showed two molecules in an asymmetric unit cell. The tin(IV) is coordinated with three carbon atoms, an oxygen of carboxylate and an oxygen of water and forms a five-coordinate, distorted trigonal bipyramidal configuration. There is no intermolecular O-Sn coordination in (3d), but a molecule of water acts as one of the five ligands and coordinates directly to the tin atom. The tin-oxygen (water) bond distance in (3d) is discussed in relation to that in other aquatin(IV) complexes.

  DOI：

  10.1081/sim-120019995