3,6-di-tert-butyl-2-triphenylstannyl-oxyphenoxide | 82239-99-4

• 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: 3,6-di-tert-butyl-2-triphenylstannyl-oxyphenoxide
• 英文别名: 3,6-di-tert-butyl-2(triphenylstannyl)oxyphenoxyl
• CAS: 82239-99-4
• 化学式: C₃₂H₃₅O₂Sn
• 分子量: 570.339
• InChiKey: XLUXMDNKPOHBCH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  35.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.13
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3,6-di-tert-butyl-2-triphenylstannyl-oxyphenoxide 、 氯磷酸二苯酯 以 甲苯 为溶剂， 生成 2-trichlorostannyloxy-3,6-di-tert-butylphenoxyl radical
  参考文献：
  名称：

  Dechlorination of diphenyl chlorophosphate with tin and sodium 3,6-di-tert-butyl-ortho-semiquinones

  摘要：

  Dechlorination reactions of diphenyl chlorophosphate (PhO)(2)P(O)Cl with 3,6-di-tert-butyl-ortho-semiquinone complexes of triphenyl tin, SQSn(Ph)(3) and sodium, SQNa have been investigated by electron spin resonance (ESR) both in solutions at 300 K and in solid phase at 77 K using mechanochemical activation. Paramagnetic 3,6-di-tert-butyl-ortho-semiquinone ligand (SQ) was used as spin probe to monitor changes in the Sn coordination sphere during the dechlorination reaction of (PhO)(2)P(O)Cl and consecutive formation of tin chloride derivatives SQSnCl(Ph)(2), SQSnCl(2)Ph, and SQSnCl(3). Their structure was revealed based on the analysis of hyperfine interaction constants due to H-1 nuclei in the 4,5-positions of the aromatic ring of the SQ ligand, hyperfine interaction constants due to Cl-35 and Cl-37 nuclei of chlorine atoms in the Sn coordination sphere, and hyperfine interaction constants due to Sn-117 and Sn-119 nuclei of the central metal ion. Interaction of SQSnCl(3) with (PhO)(2)P(O)Cl leads to the formation of a meta-stable radical-anion complex [SQSnCl(4)](-) P+(O)(OPh)(2), which transforms to SQSnCl(3)center dot center dot center dot P(O)R-3, a stable adduct of SQSnCl(3) with dechlorinated phosphate of a general formula P(O)R-3. Analysis of solution dechlorination reaction products suggests the formation of diphenyl-phosphoryl radical (PhO)(2)P'(O), which was not observed in solutions. Dechlorination of (PhO)(2)P(O)Cl with sodium 3,6-di-tert-butyl-ortho-semiquinone SQNa can proceed in solid phase in liquid nitrogen at 77 K via mechanochemical activation using a ball mill. ESR analysis of the cryo-mechanochemical reaction showed the formation of the adduct of (PhO)2P'(0) radical with 3,6-di-tert-butyl-ortho-quinone. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.036
• 作为产物：
  描述：

  thallium(I) 3,6-di-tert-butyl-1,2-benzosemiquinolate 、 三苯基氯化锡 以 正戊烷 为溶剂， 生成 3,6-di-tert-butyl-2-triphenylstannyl-oxyphenoxide
  参考文献：
  名称：

  Certain problems in the structure of tin-containing complexes of 3,6-di-tertbutyl-o-benzoquinone and metallotropic transitions in these systems

  摘要：

  DOI：

  10.1007/bf00949765