2-(1,5-diphenyl-1H-pyrazol-3-yl)-4-methylphenol | 37741-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1,5-diphenyl-1H-pyrazol-3-yl)-4-methylphenol
• 英文别名: 2-(1,5-diphenyl-1H-pyrazol-3-yl)-4-methyl-phenol；3-(2-Hydroxy-5-methylphenyl)-1,5-diphenylpyrazol；2-(1,5-Diphenylpyrazol-3-yl)-4-methylphenol
• CAS: 37741-76-7
• 化学式: C₂₂H₁₈N₂O
• 分子量: 326.398
• InChiKey: RPSXPXGYOOLXOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三甲基铝 、 2-(1,5-diphenyl-1H-pyrazol-3-yl)-4-methylphenol 以 四氢呋喃 、 甲苯 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Aluminium complexes containing pyrazolyl–phenolate ligands as catalysts for ring opening polymerization of ε-caprolactone

  摘要：

  A series of pyrazolyl-phenolate ligand precursors has been described. Reactions of five pyrazolyl-phenolate ligand precursors, HOPh(Me)Pz(Me), HOPh(Me)Pzt(Bu), HOPh(Me)Pz(Ph), HOPh(Me)Pz(F-Ph) or HOPh(H)Pz(tBu), with one molar equivalent of AlMe3 in THF gave the aluminium dimethyl complexes, Me2Al(OPh(R1)Pz(R2)) [R1 methyl, R2 methyl, Me2Al(OPh(Me)Pz(Me)) (1); R1 methyl, R2 tert-butyl, Me2Al(OPh(Me)Pz(tBu)) (2); R1 methyl, R2 phenyl, Me2Al(OPh(Me)Pz(Ph)) (3); R1 methyl, R2 4-fluorophenyl, Me2Al(OPh(Me)Pz(F-Ph)) (4); R1 H, R2 tert-butyl, Me2Al(OPh(H)Pz(tBu)) (5)], respectively. The molecular structures are reported for compounds 3 and 5. Their catalytic activities towards the ring opening polymerization reaction of epsilon-caprolactone in the presence of benzyl alcohol are also under investigation. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.12.003
• 作为产物：
  描述：

  在 碘 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(1,5-diphenyl-1H-pyrazol-3-yl)-4-methylphenol
  参考文献：
  名称：

  Selective O-deallylation of dihydropyrazoles by molecular iodine in the presence of active N-allyl and formyl groups

  摘要：

  在PEG-400中加入10 mol%的碘作为环保溶剂，实现了二氢吡唑的选择性O-脱烷基化。在100 °C下，在二甲基亚砜中加入10 mol%的碘，也能实现O-脱烷基化，且与高反应性的N-烯丙基和甲酰基的芳香化相容。本文介绍了碘在不同条件下合成取代吡唑的作用。

  DOI：

  10.1007/s11164-012-0581-2

文献信息

• Agrawal, Nitin N.; Soni, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007, vol. 46, # 3, p. 532 - 534
  作者：Agrawal, Nitin N.、Soni

  DOI：——

  日期：——
• Sharma, T. C.; Pawar, S. R.; Reddy, N. J., Acta Chimica Hungarica, 1983, vol. 112, # 2, p. 159 - 162
  作者：Sharma, T. C.、Pawar, S. R.、Reddy, N. J.

  DOI：——

  日期：——
• One-Pot Synthesis of 1,3,5-Triarylpyrazoles
  作者：Shufang Huang、Huazhou Ying、Yongzhou Hu

  DOI：10.1002/jhet.927

  日期：2013.5

  A series of novel 1,3,5-triarylpyrazoles were synthesized from flavanones, arylhydrazines, and trimethyl phosphate in an one-pot procedure. Facile reaction process, easy after-reaction workshop, and good yields are the distinct characteristics of the developed protocol. The target compounds were characterized by element analysis, infrared ray (IR), 1H NMR spectra, and electrospray ionization-mass spectrometry. The structure of representative compound (C23H20N2O3, Mr = 372.42) was further confirmed by X-ray diffraction. It crystallizes in monoclinic, space group P 21/c, a = 8.9720(5), b = 24.5523(13), c = 8.9687(6) angstrom, = 90.0000, = 102.6417(17), = 90.0000 degrees, V = 1927.76(20) angstrom 3, Z = 4, (MoK) = 0.086, F(000) = 784, Dc = 1.283 g/cm3, the final R = 0.0349 and wR = 0.0844 for 1668 observed reflections (I > 2 sigma(I))
• Sharma, T. C.; Rojindar, S.; Berge, D. D., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 687
  作者：Sharma, T. C.、Rojindar, S.、Berge, D. D.、Kale, A. V.

  DOI：——

  日期：——
• SHARMA, T. C.;PAWAR, S. R.;REDDY, N. J., ACTA CHIM. HUNG., 1983, 112, N 2, 159-162
  作者：SHARMA, T. C.、PAWAR, S. R.、REDDY, N. J.

  DOI：——

  日期：——