| 429649-10-5

• CAS: 429649-10-5
• 化学式: C₄₈H₄₈B₂N₈O₆P₂Re₂S₄
• 分子量: 1417.21
• InChiKey: XHNWMXJUZIHWSZ-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  fac-[Re(κ3-H(μ-H)B(2-mercapto-1-methylimidazole-H))2(CO)3] 、 1,2-双(二苯基膦)乙烷 以 甲醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Reactivity of [Re{κ³-H(μ-H)B(tim^Me)₂}(CO)₃] (tim^Me = 2-Mercapto-1-methylimidazolyl) toward Neutral Substrates

  摘要：

  The complex [Re{kappa(3)-H(mu-H)B(tim(Me))(2)}(CO)(3)] (2a) (tim(Me) = 2-rnercapto-1-methylimidazolyl) reacts with a variety of neutral substrates to afford new complexes featuring the dihydrobis(2-mercapto-1-methylimidazolyl)borate coordinated in a bidentate or unidentate fashion. By treating 2a with unidentate ligands, the mononuclear complexes [Re{kappa(2)-H2B(tim(Me))2}(CO)(3)(L)] (L = imidazole (5), 4-(dimethylamino)pyridine (6), tert-butylisonitrile (7), triphenylphosphine (8)) were formed, upon replacement of the agostic B-H...Re bond by the correspondent unidentate ligand. With potentially bidentate substrates, 2a is transformed into mononuclear or dinuclear complexes, depending on the atom donor set of the reacting substrates. Reaction of compound 2a with ethylenediamine (en) gave the complex [Re{kappa(1)-H2B(tim(Me))(2)}(CO)(3)(en)] (9), because of cleavage of the agostic interaction, dechelation of one mercaptoimidazolyl ring, and bidentate coordination of the amine. By contrast, 1,2-bis(diphenyl)phosphinoethane (dppe) is not able to replace the mercaptoimidazolyl ring, and the dimer [Re{kappa(2)-H2B(tim(Me))(2)}(CO)(3)](2)(mu-dppe) (10) was formed. The novel Re(l) tricarbonyl complexes (5-10) have been fully characterized, including by X-ray diffraction analysis in the case of 6, 8, 9, and 10. The X-ray diffraction study confirmed the unprecedented unidentate coordination mode of the dihydrobis(2-mercapto-1-methylimidazolyl)borate in complex 9.

  DOI：

  10.1021/ic011171n