tris(methyldiphenyl-l5-phosphaneyl)(oxo)tungsten(VII) bromide | 143133-89-5

• 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: tris(methyldiphenyl-l5-phosphaneyl)(oxo)tungsten(VII) bromide
• CAS: 143133-89-5
• 化学式: C₃₉H₃₉Br₂OP₃W
• 分子量: 960.317
• InChiKey: QIOSBUHPFJRYFV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.82
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  溴化钨 、 三乙基硼氢化钠 、 二苯基甲氧基膦 以 四氢呋喃 、 甲苯 为溶剂， 以35%的产率得到tris(methyldiphenyl-l5-phosphaneyl)(oxo)tungsten(VII) bromide
  参考文献：
  名称：

  Syntheses and structural characterizations of three WOX2L3 type complexes: Crystal structures of cis-mer-WOBr2(PMe2Ph)3·0.5C7H8 and WOBr2(PR3)3, where PR3 = PMe2Ph or PMePh2

  摘要：

  Three new complexes of the type WOX2L3, where X = Br and L = PMe2Ph, PMePh2 are reported. All were structurally characterized by X-ray diffraction studies. Compound 1, WOBr2(PMe2Ph)3.0.5C7H8, crystallizes in the monoclinic space group P2(1)/c with a = 15.378(3), b = 11.281(2), c = 18.984(3) angstrom, beta = 105.84(2)-degrees, V = 3167(2) angstrom 3 and Z = 2. Compound 2, WOBr2(PMe2Ph)3, crystallizes in the orthorhombic space group Pbca with a = 17.624(5), b = 28.240(6), c = 11.480(3) angstrom, V = 5714(4) angstrom 3 and Z = 8. Compound 3, WOBr2(PMePh2)3, crystallizes in the triclinic space group P1BAR with a = 10.473(2), b = 18.969(2), c = 9.954(3) angstrom, alpha = 95.41(2)-degrees, beta = 106.75(2)-degrees, gamma = 79.43(1)-degrees, V = 1860(1) angstrom 3 and Z = 2. In each case, the coordination of the W atom is distorted octahedral. In these compounds the phosphines are arranged meridionally and one of the bromine atoms is trans to the oxygen atom. The W = O distances are 1.70(1), 1.784(6) and 1.701(4) for 1, 2 and 3, respectively, while the W-Br (trans to oxygen atom) distances are 2.668(2), 2.676(1) and 2.655(1) angstrom for 1, 2 and 3, respectively. The IR spectra of 2 and 3 as solids show peaks due to nu(W = O) at 943 and 958 cm-1, respectively. The P-31{H-1} NMR spectrum of 2 consists of a doublet at delta -20.446 ppm and a triplet at delta -28.826 ppm in a 2:1 intensity ratio, and the H-1 NMR spectrum of 2 is also consistent with its structure in the crystal.

  DOI：

  10.1016/s0020-1693(00)82660-2