| 156467-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 156467-52-6
• 化学式: C₅₄H₅₁FNP₄Re
• 分子量: 1043.11
• InChiKey: RJHSTDZHHIUVHN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.99
• 重原子数：
  61.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  trans-{Re(CNMe)Cl(Ph2PCH2CH2PPh2)2} 、 四丁基氟化铵 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Cyanide and methylisocyanide complexes of rhenium(l) [NBu4][ReX(CN)(dppe)2] (X  Cl or CN; dppe  Ph2PCH2CH2PPh2) and trans-[ReX(CNMe)(dppe)2] (X  H, F, Cl or CN): crystal structures of trans-[ReX(CNMe)(dppe)2] (X  H or Cl)

  摘要：

  Reaction of trans[ReCl(N2)(dppe)2] (dppe = Ph2PCH2CH2PPh2) with [NBu4]CN gives [NBu4][ReCl(CN)(dppe)2] (1) which, upon further reaction with [NBu4][trans-Re(CN)2(dppe)2] (2) which is readily oxidized to [Re(CN)2(dppe)2] (3). Treatment of 1 with Me3SiCF3SO3 affords [ReH(CNMe)(dppe)2] (4) which is also obtained by reaction of trans-[ReCl(CNMe)(dppe)2] (5) with Li[BEt3H]. Compound 5 reacts with [NBu4]CN (in the presence of Tl[BF4]) or [NBu4]F to give trans-[Re(CN)(CNMe)(dppe)2] (6) or trans-[ReF(CNMe)(dppe)2] (7) respectively. The crystal structures of 4 and 5 have been determined by X-ray diffraction analyses which indicate very bent isocyanide ligands (CNC angles of 147.7(7)-degrees and 139.4(10)-degrees respectively) and rather short Re-C bond lengths (1.947(6) angstrom and 1.861(12) angstrom respectively). Cyclic voltammetry shows that in aprotic solvent these complexes undergo two successive single-electron reversible oxidations. The oxidation potential of the first oxidation, for 7, allows the estimation of the electrochemical parameter P(L) of fluoride as - 1.3 V.

  DOI：

  10.1016/0022-328x(94)80081-2