1-(Furan-2-yl)-3-(naphthalen-2-yl)propane-1,3-dione | 90051-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(Furan-2-yl)-3-(naphthalen-2-yl)propane-1,3-dione
• 英文别名: 1-(furan-2-yl)-3-naphthalen-2-ylpropane-1,3-dione
• CAS: 90051-62-0
• 化学式: C₁₇H₁₂O₃
• 分子量: 264.28
• InChiKey: UWYJIOKQWCGZIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(Furan-2-yl)-3-(naphthalen-2-yl)propane-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以72%的产率得到3-(furan-2-yl)-5-(naphthalen-2-yl)-1H-pyrazole
  参考文献：
  名称：

  Synthesis, characterization, and crystal structures of new 3,5-diaryl-1H-pyrazoles

  摘要：

  Seven new 3,5-diaryl-1H-pyrazoles were synthesized by the condensation of 1,3-diketones with hydrazine in ethanol, and characterized The crystal structures for 3(5)-(4-tert-butylphenyl)-5(3)-(4-fluorphenyl)-1H-pyrazole (5) and 3-(4-tert-butylphenyl)-5-(6-methoxy-naphthalen-2-yl)-1H-pyrazole (7) have been determined by X-ray crystal structure analysis. The N-H N intermolecular hydrogen bonds join the molecules into dimers. The NH proton of 5 is disordered, and its dimer is formed by the tautomers 5a5b or 5b5a Compound 7 only exists as a 7a tautomer, and its dimer consists of the tautomers 7a7a (C) 2009 Elsevier B V All rights reserved

  DOI：

  10.1016/j.molstruc.2009.10.001

文献信息

• US4857475A
  申请人：——

  公开号：US4857475A

  公开（公告）日：1989-08-15
• Synthesis, characterization, and crystal structures of new 3,5-diaryl-1H-pyrazoles
  作者：Dun-Jia Wang、Chun-Yang Zheng、Ling Fan

  DOI：10.1016/j.molstruc.2009.10.001

  日期：2009.12

  Seven new 3,5-diaryl-1H-pyrazoles were synthesized by the condensation of 1,3-diketones with hydrazine in ethanol, and characterized The crystal structures for 3(5)-(4-tert-butylphenyl)-5(3)-(4-fluorphenyl)-1H-pyrazole (5) and 3-(4-tert-butylphenyl)-5-(6-methoxy-naphthalen-2-yl)-1H-pyrazole (7) have been determined by X-ray crystal structure analysis. The N-H N intermolecular hydrogen bonds join the molecules into dimers. The NH proton of 5 is disordered, and its dimer is formed by the tautomers 5a5b or 5b5a Compound 7 only exists as a 7a tautomer, and its dimer consists of the tautomers 7a7a (C) 2009 Elsevier B V All rights reserved