3-Methyl-5-(5'-chloro-2'-hydroxyphenyl)pyrazole | 144880-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Methyl-5-(5'-chloro-2'-hydroxyphenyl)pyrazole
• 英文别名: 4-chloro-2-(3-methyl-1H-pyrazol-5-yl)phenol；4-Chloro-2-(3-methyl-1H-pyrazol-5-YL)phenol；4-chloro-2-(5-methyl-1H-pyrazol-3-yl)phenol
• CAS: 144880-72-8
• 化学式: C₁₀H₉ClN₂O
• mdl: MFCD02217297
• 分子量: 208.647
• InChiKey: GHMWAZVCKOOFGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methyl-5-(5'-chloro-2'-hydroxyphenyl)pyrazole 以86%的产率得到
  参考文献：
  名称：

  Salem Mounir A. I., Hamed Ashraf A., El-Shekeil Ali G., Babaqut A. S., Ma+, Rev. roum. chim., 37 (1992) N 5, S 605- 617

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯-2-甲基-4H-苯并吡喃-4-酮 在 sodium acetate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 3-Methyl-5-(5'-chloro-2'-hydroxyphenyl)pyrazole
  参考文献：
  名称：

  Salem, Mounir A. I.; Hamed, Ashraf A.; El-Shekeil, Ali G., Revue Roumaine de Chimie, 1992, vol. 37, # 5, p. 605 - 618

  摘要：

  DOI：

文献信息

• New tetracyclic 1,4-oxazepines constructed via practically simple tandem condensation strategy from readily available synthons
  作者：Alexander V. Sapegin、Stanislav A. Kalinin、Alexey V. Smirnov、Mikhail V. Dorogov、Mikhail Krasavin

  DOI：10.1016/j.tet.2013.12.026

  日期：2014.2

  A streamlined synthetic methodology towards novel tetracyclic 1,4-oxazepines from readily available precursors is described. The compounds, designed as more soluble version of the earlier described, poorly soluble dibenzo[bf][1,4]oxazepines, were obtained in high yields and as a single regioisomer as a result of three tandem chemical events-nucleophilic aromatic substitution, Smiles rearrangement and denitrocyclization. (C) 2014 Elsevier Ltd. All rights reserved.
• 3-phenyl pyrazol compounds and preserved composition containing said compounds
  申请人：KNOLL AG

  公开号：US02721143A1

  公开（公告）日：1955-10-18
• Dibenzo[b,f]pyrazolo[1,5-d][1,4]oxazepines: Facile Construction of a Rare Heterocyclic System via Tandem Aromatic Nucleophilic Substitution-Smiles Rearrangement-Denitrocyclization
  作者：Mikhail Krasavin、Alexander Sapegin、Stanislav Kalinin、Alexey Smirnov、Mikhail Dorogov

  DOI：10.1055/s-0031-1289789

  日期：2012.8

  Condensation of 2-(1H-pyrazol-5-yl)phenols with 1-chloro-2-nitrobenzenes under basic conditions in N,N-dimethylformamide results in a tandem, atom-economical, aromatic nucleophilic substitution-Smiles rearrangement-denitrocyclization process to provide pyrazolo-fused dibenzo[b,f][1,4]oxazepines as a single regioisomer.