(3,6-Cat)SnPh2·THF | 917511-61-6

• 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: (3,6-Cat)SnPh2·THF
• 英文别名: (3,6-di-tert-butylcatecholato)diphenyltin(IV) tetrahydrofuranate；diphenyltin 3,6-di-tert-butylpyrocatecholate tetrahydrofurane
• CAS: 917511-61-6
• 化学式: C₃₀H₃₈O₃Sn
• 分子量: 565.34
• InChiKey: POEYZZNZTGYGNS-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  (3,6-Cat)SnPh2·THF 、 二氧化氮 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  New bis-o-benzosemiquinonato tin(IV) complexes

  摘要：

  New bis-o-benzosemiquinonato tin(IV) complexes (3,6-SQ)(2)SnCl2, (3,6-SQ)(2)SnBr2 and (3,6-SQ)(2)SnPh2 (3,6-SQ is radical-anion 3,6-di-tert-butyl-o-benzosemiquinone) were synthesized by different methods. The reaction of tin(IV) catecholates (3,6-Cat)SnX2 center dot 2THF (X = Cl, Br) with nitrogen(IV) oxide leads to EPR-active six-coordinated mono-o-benzosemiquinonato complexes of (3,6-SQ)SnX2(NO2)center dot THF type which undergo symmetrization to the corresponding diradical bis-o-benzosemiquinonato species (3, 6-SQ)(2)SnX2. Diphenyltin(IV) catecholate (3,6-Cat)SnPh2 center dot THF reacts with Br-2, I-2 and NO2 to give five-coordinated species (3,6-SQ)SnPh2X (X = Br, I, NO2) which transform to bis-(o-benzosemiquinonato)diphenyltin(IV) (3,6-SQ)(2)SnPh2. The molecular structures of (3,6-SQ)(2)SnBr2 and (3,6-SQ)(2)SnPh2 were determined by X-ray analysis. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.08.018
• 作为产物：
  描述：

  四氢呋喃 、 diphenyltin 3,6-di-tert-butylpyrocatecholate 以 甲苯 为溶剂， 以100%的产率得到(3,6-Cat)SnPh2·THF
  参考文献：
  名称：

  Free radical fixation by tin(IV) diphenylcatecholate complexes

  摘要：

  The reactions of sodium and thallium catecholates CatM(2) (Cat is the 3.6-di-tert-butylpyrocatechol dianion; M = Na, Tl) with tin diphenyl dichloride afford new tin catecholate complexes Ph(2)SnCat center dot THF (I) and Ph(2)SnCat (II). The molecular structure of pentacoordinated complex I is determined by X-ray diffraction analysis. The synthesized complexes are capable of fixating both short-lived (PhC(O)O-center dot, (CH3)(2)NC(S)S-center dot, and NC(CH3)(2)C-center dot) and stable free radicals (aroxyl, nitroxyl, triphenylmethyl, and phenoxazinyl) to form stable o-semiquinone tin derivatives.

  DOI：

  10.1134/s1070328406030031