1-phenyl-5-(4-hydroxy-2-oxo-1-benzopyran-3-yl)-pyrazole | 124557-95-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1-phenyl-5-(4-hydroxy-2-oxo-1-benzopyran-3-yl)-pyrazole
• 英文别名: 4-Hydroxy-3-(2-phenylpyrazol-3-yl)chromen-2-one
• CAS: 124557-95-5
• 化学式: C₁₈H₁₂N₂O₃
• 分子量: 304.305
• InChiKey: YXXZZZRNPDGQOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙酰基-2-羟基苯并吡喃-4-酮 在 苯肼 作用下， 以 neat (no solvent) 为溶剂， 反应 0.08h， 生成 1-phenyl-5-(4-hydroxy-2-oxo-1-benzopyran-3-yl)-pyrazole
  参考文献：
  名称：

  Silica supported sodium hydrogen sulfate (NaHSO4–SiO2): A novel, green catalyst for synthesis of pyrazole and pyranyl pyridine derivatives under solvent-free condition via heterocyclic β-enaminones

  摘要：

  NaHSO4-SiO2 is used as an efficient, mild and reusable catalyst for the synthesis of novel heterocyclic pyrazole (5a-h) and pyranyl pyridine (7a-h) derivatives via heterocyclic beta-enaminones (3a-d) under thermal solvent-free conditions. The remarkable features of this green, new methodology are high conversions, cleaner reaction profile, simple experimental and work-up procedures. Structures of the newly synthesized compounds have been elucidated on the basis of elemental analysis and spectral data (IR, H-1 NMR, C-13 NMR and mass spectrometry). The catalyst is characterized for the first time by using scanning electron microscopy-energy dispersive X-ray (SEM-EDX) and powder XRD. The catalyst can be reused several times without significant loss of its catalytic activity. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.07.024

文献信息

• Ghosh, Chandra Kanta; Pal, Chandana; Maiti, Jharna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 1-11, p. 448 - 453
  作者：Ghosh, Chandra Kanta、Pal, Chandana、Maiti, Jharna、Bhattacharyya, Atanu

  DOI：——

  日期：——
• GHOSH, CHANDRA KANTA;PAL, CHANDANA;MAITI, JHARNA;BHATTACHARYYA, ATANU, INDIAN J. CHEM. B, 28,(1989) N, C. 448-453
  作者：GHOSH, CHANDRA KANTA、PAL, CHANDANA、MAITI, JHARNA、BHATTACHARYYA, ATANU

  DOI：——

  日期：——