| 1276679-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1276679-90-3
• 化学式: C₁₈H₂₂N₂O₃SSn
• 分子量: 465.16
• InChiKey: WOUHSRYBBLPOFE-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：
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• 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：

  (5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(thiophen-2-yl)methanone 、 三甲基氯化锡 、 水 在 NaOCH₃ 作用下， 以 甲醇 、 苯 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Novel triorganotin(IV) complexes of β-diketonates bearing two heterocycles in their structures

  摘要：

  Novel triorganotin(IV) derivatives of beta-diketonate Q ligands (HQ in general, in detail HQ(fur) = 1-phenyl-3-methyl-4-(2-furancarbonyl)-pyrazol-5-one, HQ(thi) = 1-phenyl-3-methyl-4-(2-thienylcarbonyl)-pyrazol-5one) of general formula (Q)SnR3 center dot xH(2)O (R = Ph, x = 0; R = Bu-n or Me, x = 1) have been synthesized and spectroscopically and thermally characterized. Triphenyltin(IV) complexes have been isolated as anhydrous compounds while trialkyltin(IV) are always monohydrated. The structures of (Q(fur))SnPh3 and (Q(thi))SnMe3(OH2) are recorded. The tin atoms are five-coordinate in both. In the first, the pyrazolonate ligand behaves as an O,O'-bidentate; there are two similar but independent molecules in the structure. In the quasi-trigonal-bipyramidal environments, Sn-O(acyl) are 2.478(3), 2.364(3), Sn-O(pyrazolonate) 2.050(2), 2.079(2), Sn-C 2.123(4)-2.162(3) angstrom with the longer O(acyl) and a phenyl group quasi-trans (O-Sn-C 162.5(1), 160.8(1)degrees). In (Q(thi)) SnMe3(OH2), the three methyl groups are equatorial (Sn-C 2.1259(9)-2.1380(8) angstrom); Sn-O(Qthi, OH2) are 2.2143(5), 2.3350(6) angstrom, O-Sn-O 175.36(2)degrees. Trimethyltin(IV) derivatives decompose on heating with release of H2O and SnMe4 and formation of (Q)(2)SnMe2. Decomposition occurs also within two days after dissolution of (Q) SnMe3(OH2) in chloroform. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.12.002