2-(5-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)phenol | 81902-09-2

• 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-(5-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)phenol
• 英文别名: 2-[5-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]phenol
• CAS: 81902-09-2
• 化学式: C₂₂H₁₈N₂O₂
• 分子量: 342.397
• InChiKey: QAISVNAETSDAKM-UHFFFAOYSA-N

物化性质

• 熔点：
  187 °C(Solv: acetic acid (64-19-7))
• 沸点：
  533.5±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one 在 一氯化碘 作用下， 以 吡啶 、 溶剂黄146 为溶剂， 反应 6.0h， 生成 2-(5-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)phenol
  参考文献：
  名称：

  Joshi, M. G.; Wadokar, K. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 12, p. 1089 - 1090

  摘要：

  DOI：

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：——
• 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))
• JOSHI, M. G.;WADODKAR, K. N., INDIAN J. CHEM., 1982, 20, N 12, 1089-1090
  作者：JOSHI, M. G.、WADODKAR, K. N.

  DOI：——

  日期：——