[κ4-B(mim(Bu(t)))3]Fe(CO)2 | 911035-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: [κ4-B(mim(Bu(t)))3]Fe(CO)2
• 英文别名: [κ4-B(2-mercapto-1-tert-butylimidazolyl)3]Fe(CO)2；1-Bis(3-tert-butyl-2-sulfanylideneimidazol-1-yl)boranyl-3-tert-butylimidazole-2-thione;carbon monoxide;iron
• CAS: 911035-18-2
• 化学式: C₂₃H₃₃BFeN₆O₂S₃
• 分子量: 588.41
• InChiKey: OLLUDGWUZLVFLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三溴甲烷 、 [κ4-B(mim(Bu(t)))3]Fe(CO)2 以 not given 为溶剂， 生成 [BrTm(Bu(t))]FeBr
  参考文献：
  名称：

  Reactivity of the Metal→BX₃ Dative σ-Bond:  1,2-Addition Reactions of the Fe→BX₃ Moiety of the Ferraboratrane Complex [κ⁴-B(mim^But)₃]Fe(CO)₂

  摘要：

  The ferraboratrane [kappa(4)-B(mim(But))(3)]Fe(CO)(2) (mim(But))(2)-mercapto-1- tert-butylimidazolyl), the first example of a complex which possesses a retrodative (i.e., metal-to-ligand) Fe -> B bond, is obtained via reaction of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato complex [TmBut] FeCl with LiCH2SiMe3 followed by treatment with CO. Significantly, [kappa(4)-B( mimBut)(3)]Fe(CO)(2) exhibits novel reactivity towards a variety of reagents that results in eradication of the Fe -> B bond via a formal 1,2-addition process and the formation of B-functionalized tris(mercaptoimidazolyl) borate derivatives, [XTmBut]FeY.

  DOI：

  10.1021/ic061353n
• 作为产物：
  描述：

  [tris(2-mercapto-1-tert-butylimidazolyl)hydroborato]FeCl 、 一氧化碳 、 trimethylsilylmethyllithium 以 not given 为溶剂， 生成 [κ4-B(mim(Bu(t)))3]Fe(CO)2
  参考文献：
  名称：

  Reactivity of the Metal→BX₃ Dative σ-Bond:  1,2-Addition Reactions of the Fe→BX₃ Moiety of the Ferraboratrane Complex [κ⁴-B(mim^But)₃]Fe(CO)₂

  摘要：

  The ferraboratrane [kappa(4)-B(mim(But))(3)]Fe(CO)(2) (mim(But))(2)-mercapto-1- tert-butylimidazolyl), the first example of a complex which possesses a retrodative (i.e., metal-to-ligand) Fe -> B bond, is obtained via reaction of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato complex [TmBut] FeCl with LiCH2SiMe3 followed by treatment with CO. Significantly, [kappa(4)-B( mimBut)(3)]Fe(CO)(2) exhibits novel reactivity towards a variety of reagents that results in eradication of the Fe -> B bond via a formal 1,2-addition process and the formation of B-functionalized tris(mercaptoimidazolyl) borate derivatives, [XTmBut]FeY.

  DOI：

  10.1021/ic061353n