Me(4-CF3-C6H4)NBCl2 | 1357379-80-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Me(4-CF3-C6H4)NBCl2
• CAS: 1357379-80-6
• 化学式: C₈H₇BCl₂F₃N
• 分子量: 255.862
• InChiKey: IRIONIUDCCJAES-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  sodium dicarbonyl(cyclopentadienyl)ferrate 、 Me(4-CF3-C6H4)NBCl2 以 乙醚 为溶剂， 以51%的产率得到CpFe(CO)2(B(N(C6H4-4-CF3)Me)Cl)
  参考文献：
  名称：

  (Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection

  摘要：

  Spontaneous halide ejection from a three-coordinate Lewis acid has been shown to offer a remarkable new route to cationic metal complexes featuring a linear, multiply bonded boron-donor Ligand. The exploitation of electron-rich [CpM(PR3)(2)] fragments within boryl systems of the type LnMB(hal)NR2 leads to the spontaneous formation in polar solvents of chemically robust borylene complexes, [LnM(BNR2)](+), with exceptionally low electrophilicity and short M-B bonds. This is reflected by M-B distances (ca. 1.80 angstrom for FeB systems) which are more akin to alkyl-/aryl-substituted borylene complexes and, perhaps most strikingly, by the very low exothermicity associated with the binding of pyridine to the two-coordinate boron center (Delta H = -7.4 kcal mol(-1), cf. -40.7 kcal mol(-1) for BCl3). Despite the strong pi electron release from the metal fragment implied by this suppressed reactivity and by such short M-B bonds, the barrier to rotation about the Fe=B bond in the unsymmetrical variant [CpFe(dmpe)(BN{C6H4OMe-4}Me)](+) is found to be very small (ca. 2.9 kcal mol(-1)). This apparent contradiction is rationalized by the orthogonal orientations of the HOMO and HOMO-2 orbitals of the [CpML2](+) fragment, which mean that the M-B pi interaction does not fall to zero even in the highest energy conformation.

  DOI：

  10.1021/om201144e