2-[bis(ethoxyethyl)phosphino]phenol | 668430-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[bis(ethoxyethyl)phosphino]phenol
• 英文别名: 2-[Bis(2-ethoxyethyl)phosphanyl]phenol
• CAS: 668430-14-6
• 化学式: C₁₄H₂₃O₃P
• 分子量: 270.309
• InChiKey: BIYINDCUJINGLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [ReOCl₃(PPh₃)₂] 、 2-[bis(ethoxyethyl)phosphino]phenol 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 cis-PP-[ReOCl(2-[bis(ethoxyethyl)phosphino]phenolato)2]
  参考文献：
  名称：

  Synthesis and physicochemical characterization of oxo and phenylimido Re(V), Re(III) and Ni(II) complexes with the 2-[bis(ethoxyethyl)phosphino]phenolato ligand and derivatives

  摘要：

  2-[Bis(ethoxyethyl)phosphino]phenol P-1-OH reacts in basic refluxing solvents with ReOCl3(PPh3)(2), in a 2/1 molar ratio, to give the green ReOCl(P-1-O)(2) complex. Structure elucidation by P-31 NMR is consistent with a cis-PP "twisted" octahedral complex, which is the preferred conformation on electronic grounds. The complex is unique in toluene while several species were present in ethanol. When the reaction is performed with Re(NPh)Cl-3(PPh3)(2), a mixture of trans-PP (major) and cis-PP(minor) species in a 3/1 ratio is obtained. These geometric isomers were distinguished by their (2)J(PP) coupling constants. Only cis-PP-Re(NPh)Cl(P-1-O)(2), less soluble, could be isolated and its molecular structure determined by physicochemical measurements. This is the first example of cis-PP phosphinophenolato complex with the [ReNPh](3+) core, thus illustrating the importance of the steric demand of the phosphine substituent. Reaction of P-1-OH with NiCl2 gives Ni(P-1-O)(2) as an orange oily solid with a cis-PP square planar structure. This structure is the most probable based on the P-31, C-13 NMR data. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00388-8