| 220012-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 220012-99-7
• 化学式: C₁₆H₁₈OP*Li
• 分子量: 264.233
• InChiKey: YQQJYLIZQUKVIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  Tungsten, tetrachlorobis(triphenylphosphine)- 、 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Solid state structure of WCl2(OCH2CH2CH2CH2PPh2)2 and π-bonding ability of alkoxide in chelating PO ligand

  摘要：

  The solid state structure of the WCl2(OCH2CH2CH2CH2PPh2)(2) (1) is determined by X-ray crystallography. Compound 1 crystallizes in the space group C-2 with the following unit cell parameters: a = 16.474(3) Angstrom, b = 11.001(2) Angstrom, c = 10.741(2) Angstrom, beta = 127.21(3)degrees, and Z = 2. The molecule is described as a distorted octahedral structure with two oxygen atoms trans, two chlorine atoms cis and two phosphorus atoms cis. Substantial pi-bonding from alkoxide to tungsten is suggested by the relatively short distance of W-O with 1.816(11) Angstrom. Stereochemistry of alkoxide ligand and substantial pi-bonding is consistent with the fact that in octahedral d(2) systems, two pi donors seek a mutual trans arrangement, regardless of the chelating -OCH2CH2CH2CH2PPh2 ligand. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00861-7