2-[2'-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol | 381693-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 2-[2'-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol
• 英文别名: 4-tert-butyl-2-[(E)-{2-[(diphenylphosphoryl)methoxy]phenyl}diazenyl]phenol；4-tert-butyl-2-[[2-(diphenylphosphorylmethoxy)phenyl]diazenyl]phenol
• CAS: 381693-57-8
• 化学式: C₂₉H₂₉N₂O₃P
• 分子量: 484.535
• InChiKey: QXMACNRGZMGXGS-UHFFFAOYSA-N

物化性质

• 熔点：
  165-167 °C(Solv: hexane (110-54-3); benzene (71-43-2))
• 沸点：
  646.8±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2'-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol 、 nickel pivalate dihydrate 以 乙腈 为溶剂， 生成 [Ni(2-[2'-oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol(-1H))2]*2H2O
  参考文献：
  名称：

  Synthesis, vibrational spectra, and crystal structure of the nickel(II) complex with 2-[2′-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol (HL) [NiL2] · 2H2O

  摘要：

  The syntheses of the complex nickel salt [NiL2]center dot 2H(2)O (I) (HL is 2-[2'-(oxymethyldiphenylphosphinyl) phenyldiazenyl]-4-tert-butylphenol) was described. The basic vibrational frequencies in the IR spectra of I were interpreted. Crystal structure of I was determined by X-ray crystallography: the crystals are triclinic, a = 10.331(2) angstrom, b = 11.310(2) angstrom, c = 11.641(2) angstrom, alpha = 87.48(3)degrees, beta = 89.10(3)degrees, gamma = 82.06(3)degrees, V = 1345.8(5) angstrom(3), Z = 1, space group P (1) over bar R = 0.0554 (for 3358 reflections with I > 2 sigma(I)). The coordination polyhedron of the nickel atom is a centrosymmetric square formed by the oxygen atom of the substituted phenol and one of the nitrogen atoms of the azo group of each of the two deprotonated bidentate chelating ligands L- (Ni-N, 1.887(2) angstrom; Ni-O, 1.810(2) angstrom). In the crystal of I, complex molecules are stacked to form a layer parallel to the ab plane. The crystal water molecules are located in a layer stabilize it by hydrogen bonds with the complexes.

  DOI：

  10.1134/s003602360902017x

文献信息

• Synthesis and vibrational spectra of copper(II) and erbium(III) complexes with 2-[2′-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol (HL) [CuL2] · 2H2O and Er(NO3)2 · 2 HL · 2H2O. Crystal structure of [CuL2] · 2H2O
  作者：A. Yu. Tsivadze、L. Kh. Minacheva、I. S. Ivanova、V. E. Baulin、E. N. Pyatova、V. S. Sergienko

  DOI：10.1134/s0036023608040104

  日期：2008.4

  The syntheses of the complex copper salt CuL2 center dot 2H(2)O (I) and the erbium nitrate complex Er(NO3)(3)center dot 2HL center dot 2H(2)O (II) (HL is 2-[2'-(oxymethyldiphenylphosphinyl) phenyldiazenyl]-4-tert-butylphenol) have been described. Basic vibrational frequencies in the IR spectra of I and II have been interpreted. The crystal structure of I has been determined by X-ray crystallography: the crystals are monoclinic, a = 15.157(3) angstrom, b = 17.080(2) angstrom, c = 22.451(9) angstrom, beta = 106.09(3), V = 5584(3) angstrom(3), Z = 4, space group C2/c, R = 0.0546 (for 1152 reflections with I > 2 sigma(I)). The coordination polyhedron of the copper atom (symmetry C-2) can be described as a symmetrically elongated square bipyramid (4+2). The basic square of the Cu polyhedron is formed by the oxygen atom of the substituted phenol and one of the nitrogen atoms of the azo group of each of the two deprotonated ligands L- (Cu-N, 1.969(6) angstrom; Cu-O, 1.899(5) angstrom). The angles between the opposite O and N atoms are 157.6 degrees, and the other equatorial angles are in the range 90.6 degrees-95.9 degrees. The axial positions are occupied by the anisole O(2) and O(2A) atoms (Cu-O, 2.737(6) angstrom, the O(2) Cu(1) O(2A) angle, 132.3 degrees). In the crystal of I, complex molecules and water molecules of crystallization are combined by a system of hydrogen bonds. IR spectra show that, in complex II, as distinct from compound I, the HL ligand is coordinated to the erbium atom through the phosphoryl oxygen atom.
• Synthesis, vibrational spectra, and crystal structure of the nickel(II) complex with 2-[2′-(oxymethyldiphenylphosphinyl)phenyldiazenyl]-4-tert-butylphenol (HL) [NiL2] · 2H2O
  作者：A. Yu. Tsivadze、L. Kh. Minacheva、I. S. Ivanova、V. E. Baulin、E. N. Pyatova、V. S. Sergienko

  DOI：10.1134/s003602360902017x

  日期：2009.2

  The syntheses of the complex nickel salt [NiL2]center dot 2H(2)O (I) (HL is 2-[2'-(oxymethyldiphenylphosphinyl) phenyldiazenyl]-4-tert-butylphenol) was described. The basic vibrational frequencies in the IR spectra of I were interpreted. Crystal structure of I was determined by X-ray crystallography: the crystals are triclinic, a = 10.331(2) angstrom, b = 11.310(2) angstrom, c = 11.641(2) angstrom, alpha = 87.48(3)degrees, beta = 89.10(3)degrees, gamma = 82.06(3)degrees, V = 1345.8(5) angstrom(3), Z = 1, space group P (1) over bar R = 0.0554 (for 3358 reflections with I > 2 sigma(I)). The coordination polyhedron of the nickel atom is a centrosymmetric square formed by the oxygen atom of the substituted phenol and one of the nitrogen atoms of the azo group of each of the two deprotonated bidentate chelating ligands L- (Ni-N, 1.887(2) angstrom; Ni-O, 1.810(2) angstrom). In the crystal of I, complex molecules are stacked to form a layer parallel to the ab plane. The crystal water molecules are located in a layer stabilize it by hydrogen bonds with the complexes.