| 136527-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 136527-19-0
• 化学式: C₄₄H₅₄Ge₂N₄W₂
• 分子量: 1151.82
• InChiKey: BLEBJYGQZLKNKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  52.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,2-W2Cl2(dimethylamido)4 、 triphenylgermyl lithium 以 四氢呋喃 、 甲苯 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of M2(EPh3)2(NMe2)4 compounds (E = C, Si, Ge, Sn; M = Mo, W)

  摘要：

  The reaction between M2Cl2(NMe2)4 and LiEPh3 (2 equivalents) (M = W; E = C, Si, Ge, Sn; M = Mo; E = Si, Ge, Sn) in toluene/THF at room temperature produces a precipitate of M2(EPh3)2(NMe2)4 in 35-65% isolated yield. The compounds are air-, water- and light-stable for prolonged periods in the solid state (except when E = C). All are soluble in aromatic hydrocarbon solvents and decompose on heating at 161-270-degrees-C. They were characterized by IR, UV, mass spectrometry and VT H-1 NMR. The latter revealed only the anti isomer in solution with T(c) greater-than-or-equal-to 115-degrees-C and DELTAG(dagger) greater-than-or-equal-to 74 kJ mol-1 for the amide rotation (M = W, Mo; E = Si, Ge). For W2(SnPh3)2(NMe2)4 a coalescence point of T(c) = 75-degrees-C (DELTAG(dagger) = 70 kJ mol-1) was observed and the compound slowly isomerizes to a mixture of the gauche and anti configurations.

  DOI：

  10.1016/s0277-5387(00)81554-5

文献信息

• The synthesis, characterization and X-ray structure of anti-W2(GePh3)2(NMe2)4
  作者：M.H. Chisholm、I.P. Parkin、J.C. Huffman

  DOI：10.1016/s0277-5387(00)86097-0

  日期：1991.1

  The reaction between LiGePh3 and W2Cl2(NMe2)4 in toluene-THF produces W2(GePh3)2(NMe2)4 in high yield (69%). The product is air-stable, decomposes at 209-degrees-C and is soluble in aromatic hydrocarbon solvents. The H-1 NMR spectrum reveals only an anti-isomer with T(c) = 115-degrees-C, DELTA-G-dagger = 74 kJ mol-1 for amide rotation. The X-ray structure is consistent with the H-1 NMR spectrum and reveals a central anti-ethane-like W2N4Ge2 core with bond lengths and angles: W = W = 2.2970(9) angstrom, W-Ge = 2.625(1) angstrom, W-N = 1.95(av) angstrom, W-W-Ge = 95.89(3)-degrees. The compound crystallized in the P2(1)/n space group with the cell parameters a = 19.770(6), b = 11.685(2), c = 9.326(2) angstrom, beta = 99.74(1)-degrees, Z = 2, V = 2123.3 angstrom3, d(c) = 1.802 g cm-3 at -172-degrees-C.