1,3-bis-(2,6-diisopropylphenyl)imidazol-2-ylidene tribromoborane | 956972-08-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis-(2,6-diisopropylphenyl)imidazol-2-ylidene tribromoborane
• 英文别名: [1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tribromoboranuide
• CAS: 956972-08-0
• 化学式: C₂₇H₃₆BBr₃N₂
• 分子量: 639.119
• InChiKey: CTRWGCOLTUJYPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.58
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-bis-(2,6-diisopropylphenyl)imidazol-2-ylidene tribromoborane 在 KC₈ 作用下， 以 乙醚 为溶剂， 生成 ([1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]BH2)2
  参考文献：
  名称：

  A Stable Neutral Diborene Containing a BB Double Bond

  摘要：

  The syntheses and molecular structures of four compounds are reported: 1 (RBBr3), 2 (R(H)(2)B-B(H)(2)R), 3 (R(H)B=B(H)R), and 4 (RBH3) (R = :C{N(2,6-Pr-i 2C6H3)CH}(2)).These compounds were characterized by single-crystal X-ray diffraction, H-1 and B-11 NMR, and elemental analyses. Compounds 2 and 3 were prepared by the KC8 reduction of I in Et2O Compound 3 is the first structurally characterized neutral diborene (mean B=B: 1.560(18) A). The nature of the B=B double bond in 3 was delineated by DFF computations.

  DOI：

  10.1021/ja075932i
• 作为产物：
  描述：

  1,3-bis(2,6-diiopropylphenyl)imidazol-2-ylidene borane 在 溴 作用下， 以 氘代氯仿 为溶剂， 以97%的产率得到1,3-bis-(2,6-diisopropylphenyl)imidazol-2-ylidene tribromoborane
  参考文献：
  名称：

  Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron−Heteroatom Bonds

  摘要：

  Boryl halide, carboxylate and sulfonate complexes of 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (dipp-Imd-BH2X, X = halide or sulfonate) have been prepared from the parent borane dipp-Imd-BH3 by (1) substitution reactions with R X (X = halide or sulfonate), (2) reactions with electrophiles (like I-2 or NIS), or (3) acid/base reactions with HX (provided that HX has a pK(a) of about 2 or less). Dipp-Imd-BH2I is most conveniently prepared by reaction with diiodine while dipp-Imd-BH2OTf is best prepared by reaction with triflic acid. These and other less reactive complexes behave as electrophiles and can be substituted by a wide range of heteroatom nucleophiles including halides, thiolates and other sulfur-based nucleophiles, isocyanate, aside, nitrite, and cyanide. The resulting products are remarkably stable, and many have been characterized by X-ray crystallography. Several are members of very rare classes of functionalized boron compounds (boron azide, nitro compound, nitrous ester, etc.).

  DOI：

  10.1021/ja107025y

文献信息

• Synthesis and Stabilization of Neutral Compounds with Homonuclear Bonds
  申请人：Robinson Gregory H.

  公开号：US20100041895A1

  公开（公告）日：2010-02-18

  The present invention is directed to the synthesis and stabilization of neutral molecules containing homonuclear single or multiple bonds, methods of preparation, and uses thereof.

  本发明涉及合成和稳定含有同核单键或多键的中性分子，以及其制备方法和用途。
• NHC Supersilyl Silver Complex [Ag(IPr)Si <i>t</i> Bu ₃ ] as a Promising Agent for Substitution Reactions
  作者：Frauke Schödel、Michael Bolte、Matthias Wagner、Hans‐Wolfram Lerner

  DOI：10.1002/zaac.201900304

  日期：2020.3.13

  (IPr = NHCIPr) was prepared by treatment of Ag(IPr)Cl with Na(thf)2[SitBu3] in benzene/thf at room temperature. X‐ray quality crystals of the NHC supersilyl silver complex [Ag(IPr)SitBu3] (monoclinic, space group P21/m) were grown from heptane at room temperature. The 29Si NMR spectrum of a solution of [Ag(IPr)SitBu3] in C6D6 revealed two doublets caused by coupling to 107Ag and 109Ag nuclei. We further

  通过在室温下用Na（thf）2 [Si t Bu 3 ]在苯/ thf中处理Ag（IPr）Cl来制备NHC超甲硅烷基银络合物[Ag（IPr）Si t Bu 3 ]（IPr = NHC IPr）。。NHC超甲硅烷基银络合物[Ag（IPr）Si t Bu 3 ]（单斜晶系，空间群P 2 1 / m）的X射线晶体在室温下从庚烷中生长出来。[Ag（IPr）Si t Bu 3 ]在C 6 D 6中的溶液的29 Si NMR光谱显示，由于与107 Ag和109 Ag核。我们进一步研究triel卤化物EX的转换的可能性3通过用处理将[Ag（IPR）的Si吨卜3 ]。在环境温度下将[Ag（IPR）Si的反应吨卜3 ]用过量EX的3得到吨卜3 SiEX 2（E = B，Al的金属; X =氯，溴; E = GA; X = Cl）的和IPr · EX 3（EX 3＝ BCl 3，BBr 3，AlCl 3，AlBr