| 209547-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 209547-81-9
• 化学式: C₃₄H₆₄N₂O₆W₂
• 分子量: 964.592
• InChiKey: QTHIOPCAWRDZGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡啶 、 ditungsten hexakis(tert-butoxide) 以 苯 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Pyridine, isocyanide, carbodiimide and allene adducts of hexakis (trifluoromethyl t-botoxy) ditungsten. A comparison of ligand binding to W2(OtBu)6 and W2(OCMe2CF3)6

  摘要：

  W-2(OR)(6) compounds, where R = 'Bu and CMe2CF3, both reversibly bind pyridine in hydrocarbon solvents to form adducts W-2(OR)(6)L-2. Pyridine binds more strongly to the fluoroalkoxide but the structural parameters of the compounds W-2(OCMe2CF3)(6)(C6H5N)(2) and W-2(O'Bu)(6)(4-CH3C6H4N)(2) reveal an essentially identical W2O6N2 core with W-W = 2.39(1) Angstrom, W-O = 1.92-1.95 Angstrom and W-N = 2.26(1) Angstrom. Both compounds were crystallographically characterized in the space group C2/c and each molecule has rigorous C-2 symmetry. Allene and 1,3-di-p-tolylcarbodiimide form 1 : 1 adducts with W-2(OCMe2CF3)(6) in which the substrate is bound parallel to the M-M axis, i.e. mu-eta(2), eta(2)-C3H4 and mu-eta(2), eta(2)-ArNCNAr-W-2(OCMe2CF3)(6). Also W-2 (OCMe2CF3)(6) and W-2(OSi'BuMe2)(6) bind two equivalents of xylylisocyanide to afford W-2(OR)(6)(eta(1)-CNAr)(2). For W-2(OCMe2CF3)(6)(eta(1)-CNAr)(2), the molecular structure has been determined by X-ray crystallography and shows a nearly eclipsed central W2O6C2 skeleton with W-W = 2.44(1) Angstrom, W-O = 1.94(1) Angstrom (av.) and W-C = 2.14(1) Angstrom, whereas the W-W-O angles span the range 105-114 degrees, the W-W-C angles are 83(1)degrees. Similarly, W-2(OChle(CF3)(2))(4)(NMe2)(2) forms a bis adduct upon reaction with the isocyanide. However, the molecular structure of W-2(OCMe(CF3)(2))(4)(NMe2)(2)(eta(1)-CNAr)(2), shows a staggered arrangement of the two ligands about the ditungsten center where W-W = 2.382(1) Angstrom, W-O = 2.00(1) Angstrom (av.), W-N = 1.93(1) Angstrom (av.) and W-C = 2.14(1) Angstrom (av.) with a C-W-W-C dihedral angle of 41.9 degrees. These reactions and their products are compared for W-2(OR)(6) compounds where R = 'Bu,'BuMe2Si and CMe2CF3. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00290-8