Sb(3,5-di-tert-butylcatecholate)I | 149759-15-9

• 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: Sb(3,5-di-tert-butylcatecholate)I
• 英文别名: 4,6-ditert-butyl-2-iodo-1,3,2-benzodioxastibole
• CAS: 149759-15-9
• 化学式: C₁₄H₂₀O₂*I*Sb
• 分子量: 468.966
• InChiKey: ZWCWZOYTKPMLHV-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.95
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.12
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 Sb(3,5-di-tert-butylcatecholate)I 以 乙醚 为溶剂， 生成 Sb(3,5-di-tert-butylcatecholate)I(1,10-phenantroline)
  参考文献：
  名称：

  Oxidation of elemental antimony by substituted ortho-benzoquinones

  摘要：

  The oxidation of elemental antimony by the o-quinones Y4C6O2-o (Y = Cl or Br) in diethyl ether gives the unusual antimony(v) products Sb(O2C6Y4)2.5.nEt2O (Y = Cl, n = 1.5; Y = Br, n = 1). The same quinones, and 3,5-di-tert-butyl-1,2-benzoquinone, upon treatment with Sb + 1/2X2 (X = Br or 1) in toluene, give the antimony(III) derivatives Sb(cat)X (cat = substituted catecholate anion). The oxidations are shown by electron spin resonance spectroscopy to proceed via the o-semiquinone intermediates. Adducts of Sb(cat)l with bidentate neutral donors have been prepared. The structure of Sb(dbc)I(bipy) (dbc = 3,5-di-tert-butylcatecholate, bipy = 2,2'-bipyridine) has been shown to be that of a pseudo-octahedral molecule with a stereochemically active lone pair of electrons. Crystal parameters for Sb(dbc)I(bipy).0.5bipy: triclinic, space group P1BAR, a = 9.779(4), b = 18.554(7), c = 8.944(3) angstrom, alpha = 100.94(3), beta = 115.11(3). gamma = 86.82(4)-degrees, Z = 2 and R = 0.044 for 3307 unique reflections.

  DOI：

  10.1039/dt9930001381
• 作为产物：
  描述：

  Sb(3,5-di-tert-butylcatecholate)I(2,2'-bipyridine) 以 N,N-二甲基甲酰胺 为溶剂， 生成 Sb(3,5-di-tert-butylcatecholate)I(2,2'-bipyridine) * 0.5 2,2'-bipyridine 、 Sb(3,5-di-tert-butylcatecholate)I
  参考文献：
  名称：

  Oxidation of elemental antimony by substituted ortho-benzoquinones

  摘要：

  The oxidation of elemental antimony by the o-quinones Y4C6O2-o (Y = Cl or Br) in diethyl ether gives the unusual antimony(v) products Sb(O2C6Y4)2.5.nEt2O (Y = Cl, n = 1.5; Y = Br, n = 1). The same quinones, and 3,5-di-tert-butyl-1,2-benzoquinone, upon treatment with Sb + 1/2X2 (X = Br or 1) in toluene, give the antimony(III) derivatives Sb(cat)X (cat = substituted catecholate anion). The oxidations are shown by electron spin resonance spectroscopy to proceed via the o-semiquinone intermediates. Adducts of Sb(cat)l with bidentate neutral donors have been prepared. The structure of Sb(dbc)I(bipy) (dbc = 3,5-di-tert-butylcatecholate, bipy = 2,2'-bipyridine) has been shown to be that of a pseudo-octahedral molecule with a stereochemically active lone pair of electrons. Crystal parameters for Sb(dbc)I(bipy).0.5bipy: triclinic, space group P1BAR, a = 9.779(4), b = 18.554(7), c = 8.944(3) angstrom, alpha = 100.94(3), beta = 115.11(3). gamma = 86.82(4)-degrees, Z = 2 and R = 0.044 for 3307 unique reflections.

  DOI：

  10.1039/dt9930001381