methylcymantrenyl(3-dibromo)borane | 61649-79-4

• 英文名称: methylcymantrenyl(3-dibromo)borane
• 英文别名: 1-dibromoboryl-3-methylcymantrene
• CAS: 61649-79-4
• 化学式: C₉H₆BBr₂MnO₃
• 分子量: 387.702
• InChiKey: DVFYGWVQHOAIMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  methylcymantrenyl(3-dibromo)borane 、 N,N'-二丁基-1,2-乙二亚胺 以 正己烷 为溶剂， 生成 [((3-Me)[1-Br(C2H2BN2)(tBu)2]C5H3)Mn(CO)3]Br
  参考文献：
  名称：

  Synthetic, Structural, and Electrochemical Studies of 2‐Ferrocenyl‐ and2‐Cymantrenyl‐Functionalized 2,3‐Dihydro‐1 H ‐1,3,2‐diazaboroles and1,3,2‐Diazaborolidenes

  摘要：

  AbstractReaction of (dibromoboryl)ferrocene (1) with 1 equiv. of the diazabutadiene tBuN=CH–CH=NtBu, and subsequent reduction of the obtained borolium salt 2 with sodium amalgam, affords the first ferrocenyl‐functionalized 1,3,2‐diazaborole (3). Similarly, 1,1′‐bis(dibromoboryl)ferrocene (4) can be transformed into compound 6, which contains two diazaborolyl substituents at the ferrocene core. Treatment of precursors 1 and 4 with 1,2‐bis(tert‐butylamino)ethane in the presence of Et3N gives rise to the formation of the diazaborolidine derivatives 13 and 14. 1‐Dibromoboryl‐3‐methylcymantrene (7) was also treated with tBuN=CH–CH=NtBu to give the borolium salt 8, which was subsequently reduced to the 2‐cymantrenyl‐diazaborole 9. Treatment of 7 with tBuN(H)CH2CH2N(H)tBu in the presence of Et3N furnished the corresponding 2‐cymantrenyl‐diazaborolidine 15. The novel compounds were characterized by elemental analyses and various spectroscopic techniques (IR; 1H, 13C, and 11B NMR; MS). The molecular structures of 3, 6, and 15 were elucidated by X‐ray diffraction analyses. Cyclovoltammetric studies of the ferrocene derivatives at high scan rates show features of a quasireversible oxidation at the iron center. The heterocyclic groups serve as electron donors, considerably lowering the oxidation potential of the central iron atoms when compared to the parent compound ferrocene. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejic.200500495

文献信息

• Tl(i) complexes of cymantrene-based tris(1-pyrazolyl)borates: polymers and macrocycles
  作者：ShengLi Guo、Jan W. Bats、Michael Bolte、Matthias Wagner

  DOI：10.1039/b105692c

  日期：2001.12.13

  tris(1-pyrazolyl)borates have been synthesised from the reaction of CymBBr2 and Cym′BBr2 with pyrazole (Hpz) in the presence of triethylamine [Cym: cymantrenyl; Cym′: (methyl)cymantrenyl]. The Tl(I) salts CymB(pz)3Tl, 2a, and Cym′B(pz)3Tl, 2b, have been structurally characterised by X-ray crystallography. Similar to the corresponding complex FcB(pz)3Tl (Fc: ferrocenyl), CymB(pz)3Tl features a polymeric structure

  通过CymBBr 2和Cym'BBr 2与CymBBr 2的反应合成了基于丙炔的三（1-吡唑基）硼酸酯吡唑 （Hpz）在以下情况下 三乙胺[Cym：cymantrenyl；Cym'：（甲基）环戊烯基]。Tl（I）盐CymB（pz）3 Tl，2a和Cym'B（pz）3 Tl，2b的结构特征是X射线晶体学。与相应的复合物FcB（pz）3 T1（Fc：二茂铁基）相似，CymB（pz）3 T1具有以固态桥接[B（pz）3 ]片段的聚合结构。Cym'B（pz）3 T1显示了相关的寡聚结构。这次观察到大环四聚体而不是线性链。提供一个配体 在...中的高溶解度 非极性溶剂合成了化合物Cym'B（pz 4-R）3 Tl [R = CH 2（C 6 H 11）] 2d，该化合物在有机金属部分的对称性降低，且与（环己基）甲基取代基所有吡唑基环的4位。