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[2,2-(PPh3)2-2-H-closo-2,1-IrSB10H10] | 1011719-54-2

中文名称
——
中文别名
——
英文名称
[2,2-(PPh3)2-2-H-closo-2,1-IrSB10H10]
英文别名
——
[2,2-(PPh3)2-2-H-closo-2,1-IrSB10H10]化学式
CAS
1011719-54-2
化学式
C36H41B10IrP2S
mdl
——
分子量
868.065
InChiKey
DATNGTYRBJJSDO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    [Ir(PPh3)3Cl] 、 nido-7-SB10H12 在 N,N,N',N'-tetramethylnaphthalene-1,8-diamine 作用下, 以 二氯甲烷 为溶剂, 以12%的产率得到[2,2-(PPh3)2-2-H-closo-2,1-IrSB10H10]
    参考文献:
    名称:
    Polyhedral metallathiaborane chemistry: Synthesis and characterisation of metallathiaboranes based on the twelve-vertex icosahedral closo-{MSB10H10} unit, where M is Rh or Ir
    摘要:
    The reaction of [nido-7-SB10H12] With [RhCl(PPh3)(3)] ill the presence of N,N,N'N'-tetramethylnaphthalene-1,8-diamine (tmnd) in CH2Cl2 gives twelve-vertex [2,2-(PPh3)(2)-2-H-closo-2,1-RhSB10H10] (1) and eleven-vertex [8,8-(PPh3)(2)-nido-8,7-RhSB9H10] (2), as major products, plus the dimeric species [{(PPh3)-closo-RhSB10H10)(2)] (3) as a minor product. Reaction of 1 with PMe2Ph in CH2Cl2 results in phosphine exchange and hydride substitution, affording the chloro analogue of 1, [2,2-(PMe2Ph)(2)-2-Cl-closo-2,1-RhSB10H10] (4). By contrast, reaction between [IrCI(PPh3)(3)] and [nido-7-SB10H12] in CH2C12 With timid affords only one product, twelve-vertex (2,2(PPh3)(2)-2-H-(closo-2,1-IrSB10H10] (5). [RuCl2(eta(5)-C5Me5)](2) with [nido-7-SB10H12] under the same conditions gives twelve-vertex [2-(eta(5)- C5Me5)-closo-2,1-RhSB10H10] (6). All the compounds are characterised by NMR spectroscopy, and by mass spectrometry, and the molecular structure of [2,2-(PMe2Ph)(2)-2-Cl-closo-2,1-RhSB10H10] (4) was established by single-crystal X-ray diffraction analysis. This last rhodathiaborane 4 is fluxional in solution through a process that involves a reversible partial rotation of the {RhCl(PMe2Ph)(2)} unit above the {SB4} pentagonal face of the {SB10H10} fragment. (C) 2007 Elsevier B.V. All rights reserved.
    DOI:
    10.1016/j.jorganchem.2007.11.014
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