1,1,1-(CO)3-2-Me-closo-1,2,3,4-MnC3B7H9 | 139942-85-1

• 英文名称: 1,1,1-(CO)3-2-Me-closo-1,2,3,4-MnC3B7H9
• CAS: 139942-85-1；950980-29-7
• 化学式: C₇H₁₂B₇MnO₃
• 分子量: 274.785
• InChiKey: ISUIPOIZNBAZPE-VKZMHLLXSA-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：

  五羰基溴化锰(I) 、 Na(nido-6-Me-5,6,9-C3B7H9) 以 四氢呋喃 为溶剂， 以54%的产率得到1,1,1-(CO)3-2-Me-closo-1,2,3,4-MnC3B7H9
  参考文献：
  名称：

  三碳硼烷化学。1.单笼铁，锰和镍金属金硼烷配合物的合成和结构表征

  摘要：

  Improvements in the route to the tricarbon carborane 6-CH3-5,6,9-C3B7H10 (1) and its corresponding monoanion, 6-CH3-5,6,9-C3B7H9-, have enabled the syntheses of a series of monocage iron, manganese, and nickel tricarbaborane complexes that are analogues of the cyclopentadienyl complexes of these metals. Reaction of 6-CH3-5,6,9-C3B7H9- with (eta-C5H5)Fe(CO)2I gave two isomeric products, 1-(eta-C5H5)Fe-2-CH3-2,3,4-C3B7H9 (2) and 1-(eta-C5H5)Fe-4-CH3-2,3,4-C3B7H9 (3), while reaction of the anion with Mn(CO)5Br yielded 1-(CO)3Mn-2-CH3-2,3,4-C3B7H9 (4). Single-crystal X-ray structural determinations of 2 and 3 confirm that they are hybrid complexes in which an iron atom is sandwiched between cyclopentadienyl and tricarbon carborane ligands. The ferratricarbaborane cages in both 2 and 3 have closo-octadecahedral structures, consistent with their 24-skeletal-electron counts, with the iron atom in the six-coordinate position and two of the cage carbon atoms in four-coordinate positions adjacent to the iron. The two structures differ in the position of the exopolyhedral methyl group. In 2 the methyl group is bound to a four-coordinate carbon as in 1. In 3 the methyl group has rearranged to an adjacent five-coordinate cage carbon. The reaction of 6-CH3-5,6,9-C3B7H9- with [(eta-C5H5)NiCO]2 yielded the compound 9-(eta-C5H5)Ni-8-CH3-7,8,10-C3B7H9 (5), which is proposed, on the basis of its skeletal-electron count and the spectroscopic data, to have a sandwich structure in which the nickelatricarbaborane cage has an open-cage geometry based on an icosahedron missing one vertex.

  DOI：

  10.1021/om00040a042