2-Cyanoethylidyneazaniumyl-tris(2,3,4,5,6-pentafluorophenyl)boranuide | 799297-38-4

• 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: 2-Cyanoethylidyneazaniumyl-tris(2,3,4,5,6-pentafluorophenyl)boranuide
• CAS: 799297-38-4
• 化学式: C₂₁H₂BF₁₅N₂
• 分子量: 578.047
• InChiKey: SATVUCYNMLJTEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  三(五氟苯基)硼烷 、 丙二腈 以 二氯甲烷 为溶剂， 以62%的产率得到2-Cyanoethylidyneazaniumyl-tris(2,3,4,5,6-pentafluorophenyl)boranuide
  参考文献：
  名称：

  Mono- and Homobimetallic Vanadium Complexes:  Borane Adducts of Vanada(IV)azirine Complexes

  摘要：

  The reaction between [VCp2], BPh3, or BCl3 and the nitrile F3CC6H4C=-N gives the borane adduct of vanada(IV)azirine complex [VCp2{n(2):C,N-F3CC6H4C=N.BR3}] (R = Ph (2), Cl (3)). Using B(C6F5)(3) and dicyano compounds such as 1,4-benzene dicarbonitrile NdropC(C6H4)CdropN and adiponitrile NdropC(CH2)(4)CdropN, an access to homobimetallic vanadium complexes was obtained and complexes [(VCp2)(2){n(2):C,N-(C6F5)(3)B.NdropC(C6H4)C=N.B(C6F5)(3)}] (6) and [(VCp2)(2)-{n(2):C,N-(C6F5)(3)B.N=C(CH2)(4)C=N.B(C6F5)(3)}] (8) are formed. Malononitrile NdropCCH(2)CdropN in the presence of 2 equiv of B(C6F5)(3) and 1 or 2 equiv Of [VCp2] gave the monometallic complex [(VCp2){n(2):C,N-(C6F5)(3)B.N=CCH(2)CdropN.B(C6F5)(3)}] (7). Complexes 2, 3, 7, and 8 were characterized by X-ray structure determination. All these complexes are paramagnetic to one electron per vanadium.

  DOI：

  10.1021/om049488t