1-(4-isopropylphenyl)-3-methyl-pyrazole | 1033725-94-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-isopropylphenyl)-3-methyl-pyrazole
• 英文别名: 3-Methyl-1-(4-propan-2-ylphenyl)pyrazole
• CAS: 1033725-94-8
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: RVJKMTAEQJJKAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-isopropylphenyl)-3-methyl-4,5-dihydropyrazole 在 air 、 溶剂黄146 作用下， 反应 24.0h， 生成 1-(4-isopropylphenyl)-3-methyl-pyrazole
  参考文献：
  名称：

  Zinc-Catalyzed Synthesis of Pyrazolines and Pyrazoles via Hydrohydrazination

  摘要：

  A novel regioselective synthesis of aryl-substituted pyrazolines and pyrazoles has been developed. Substituted phenylhydrazines react with 3-butynol in the presence of a catalytic amount of zinc triflate to give pyrazoline derivatives. The resulting products are easily oxidized in a one-pot procedure to the corresponding pyrazoles.

  DOI：

  10.1021/ol800592s

文献信息

• Modulation of Bacterial Quorum Sensing With Synthetic Ligands
  申请人：Blackwell Helen E.

  公开号：US20110212860A1

  公开（公告）日：2011-09-01

  The present invention provides compounds and methods for modulation of the quorum sensing of bacteria. In an embodiment, the compounds of the present invention are able to act as replacements for naturally occurring bacterial quorum sensing ligands in a ligand-protein binding system; that is, they imitate the effect of natural ligands and produce an agonistic effect. In another embodiment, the compounds of the present invention are able to act in a manner which disturbs or inhibits the naturally occurring ligand-protein binding system in quorum sensing bacteria; that is, they produce an antagonistic effect. The compounds of the present invention comprise N-acylated-homoserine lactones (AHLs) comprised of a wide range of acyl groups.
• MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20150080349A1

  公开（公告）日：2015-03-19

  The present invention provides compounds and methods for modulation of the quorum sensing of bacteria. In an embodiment, the compounds of the present invention are able to act as replacements for naturally occurring bacterial quorum sensing ligands in a ligand-protein binding system; that is, they imitate the effect of natural ligands and produce an agonistic effect. In another embodiment, the compounds of the present invention are able to act in a manner which disturbs or inhibits the naturally occurring ligand-protein binding system in quorum sensing bacteria; that is, they produce an antagonistic effect. The compounds of the present invention comprise N-acylated-homoserine lactones (AHLs) comprised of a wide range of acyl groups.
• Modulation of Bacterial Quorum Sensing with Synthetic Ligands
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20170369462A1

  公开（公告）日：2017-12-28

  The present invention provides compounds and methods for modulation of the quorum sensing of bacteria. In an embodiment, the compounds of the present invention are able to act as replacements for naturally occurring bacterial quorum sensing ligands in a ligand-protein binding system; that is, they imitate the effect of natural ligands and produce an agonistic effect. In another embodiment, the compounds of the present invention are able to act in a manner which disturbs or inhibits the naturally occurring ligand-protein binding system in quorum sensing bacteria; that is, they produce an antagonistic effect. The compounds of the present invention comprise N-acylated-homoserine lactones (AHLs) comprised of a wide range of acyl groups.
• US8815943B2
  申请人：——

  公开号：US8815943B2

  公开（公告）日：2014-08-26
• US9796694B2
  申请人：——

  公开号：US9796694B2

  公开（公告）日：2017-10-24