| 174474-25-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 174474-25-0
• 化学式: C₂₀H₃₂O₁₀P₄Re*I
• 分子量: 869.475
• InChiKey: IJNAUSSNVWTPIS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.84
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  195.98
• 氢给体数：
  8.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  iododioxobis(triphenylphosphine)rhenium(V) 、 1,2-bisbenzene 以 二氯甲烷 、 水 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Chemistry in Environmentally Benign Media. 3.¹ Synthesis and Characterization of Rhenium(V) Complexes Derived from Novel Water-Soluble (Hydroxymethyl)phosphines. Crystal Structures of [Re(O)₂{(HOH₂C)₂PC₆H₄P(CH₂OH)₂}₂]I and [Re(O)₂{(HOH₂C)₂PCH₂CH₂P(CH₂OH)₂}₂]Cl

  摘要：

  Water-soluble monophosphine P(CH2OH)(3) (1) and bisphosphines (HOH2C)(2)PC6H4P(CH2OH)(2) (2) and (HOH2C)(2)PCH2CH2P(CH2OH)(2) (3) were synthesized in near quantitative yields by the catalytic formylation of appropriate P-H bonded compounds in the presence of formaldehyde in aqueous media. The reactions of these mono- and bisphosphines 1-3 with ReO2I(PPh(3))(2), in biphasic media (aqueous/organic), or [ReO2(NC6H5)(4)]Cl, in aqueous media, produced the water-soluble Re(V) complexes [ReO2{P(CH2OH)(3)}4](+) (4), [ReO2{(HOH2C)(2)PC6H4P(CH2OH)(2)}(2)](+) (5), and [ReO2{(HOH2C)(2)PCH2P(CH2OH)(2)}(2)](+) (6) in near quantitative yields. The X-ray structures of 5 and 6, reported in this paper, confirmed the dioxorhenium(V) structures of these new generation of water-soluble transition metal complexes. All the compounds were characterized by IR, H-1, and P-31 NMR spectroscopy. X-ray data for 5: monoclinic, C2/c, a = 23.906(5) Angstrom, b = 7.049(1) Angstrom, c = 17.024(4) Angstrom, beta = 105.93(1)degrees, Z = 4, R = 0.019 (R(W) = 0.027). For 6: triclinic, , a = 6.493(1) Angstrom, b = 9.488(2) Angstrom, c = 10.577(2) Angstrom, alpha = 104.4(1)degrees, beta = 96.4(1)degrees, gamma = 109.5(1)degrees, Z = 1, R = 0.045 (R(W) = 0.060).

  DOI：

  10.1021/ic9510167