trans-Fe(1,2-diphospholanoethane)2Br2 | 200577-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: trans-Fe(1,2-diphospholanoethane)2Br2
• 英文别名: dibromoiron;1-[2-(phospholan-1-yl)ethyl]phospholane
• CAS: 200577-53-3
• 化学式: C₂₀H₄₀Br₂FeP₄
• 分子量: 620.088
• InChiKey: YNFIAXPDYDBHML-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.76
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  cis-Fe(1,2-diphospholanoethane)2Br2*H2O 以 甲苯 为溶剂， 生成 trans-Fe(1,2-diphospholanoethane)2Br2
  参考文献：
  名称：

  Iron(II) Complexes Containing the 1,2-Diphospholanoethane Ligand

  摘要：

  The synthesis and crystal structure of cis-Fe(BPE5)(2)Cl-2 (BPE5 = 1,2-diphospholanoethane). the first symmetrical cis-Fr(PP)(2)Cl-2 (PP = bidentate phosphine), is reported (monoclinic. P2(1)/n, a = 12.084(3) Angstrom, b = 14.059(2) Angstrom, c = 17.665(2) Angstrom, beta = 101.77(1)degrees, Z = 4). The overall structure and Fe-P and Fe-CI bend lengths of cis-Fe(BPE5)(2)Cl-2 more closely resemble those in Fe(PP3)Cl-2 complexes (PP3 = tripodal, tetradentate phosphine ligand) than in other Fe(PP)(2)Cl-2 complexes. In solution, cis-Fe(BPE5)(2)Cl-2 exhibits temperature-dependent paramagnetic behavior due to reversible dissociation of chloride. The dissociation of chloride was exploited in the synthesis of Fe(BPE5)(2)X-2 (X = Br, I) and [Fe(BPE5)(2)(L)(CI)](+). (L = CO, PMe3). The crystal structure of [cis-Fe(BPE5)(2)-(CO)(Cl)][BPh4] is reported (monoclinic, P2(1)/a, a = 12.938(3) Angstrom, b = 29.647(4) Angstrom, c = 13.131(3) Angstrom, beta = 107.89(2)degrees, Z = 4). The relative chelation strength of BPES in Fe(PP)(2)Cl-2 complexes is BPE5 approximate to DMPE > DEPE > DPrPE [DMPE = 1,2-bis(dimethylphoshino)ethane: DEPE = 1,2-bis(diethylphoshino)ethane; DPrPE = bis(di-n-propylphosphino)ethane].

  DOI：

  10.1021/ic9701928