1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydropyrazole | 1033725-92-6

• 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-(3,4-dichlorophenyl)-3-methyl-4,5-dihydropyrazole
• 英文别名: 2-(3,4-Dichlorophenyl)-5-methyl-3,4-dihydropyrazole
• CAS: 1033725-92-6
• 化学式: C₁₀H₁₀Cl₂N₂
• 分子量: 229.109
• InChiKey: CMXZQTOYXVJWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (3,4-二氯苯基)肼 、 3-丁炔-1-醇 在 zinc trifluoromethanesulfonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以98%的产率得到1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydropyrazole
  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

• 1,2-DISUBSTITUTED CYCLOBUTYL COMPOUNDS
  申请人：Laboratorios del Dr. Esteve, S.A.

  公开号：EP3027587B1

  公开（公告）日：2018-07-25
• [EN] BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES<br/>[FR] MOLÉCULES BIFONCTIONNELLES POUR LA MODIFICATION SÉLECTIVE DE SUBSTRATS CIBLES
  申请人：[en]THE BROAD INSTITUTE, INC.

  公开号：WO2022225728A2

  公开（公告）日：2022-10-27

  The present disclosure relates to bifunctional chemical conjugation molecules, which find utility as modifiers of target substrates. The present disclosure includes multifunctional compounds comprising an enzyme binding moiety, a chemical linker moiety, and a target binding moiety, which may further include an electrophilic reactive group. Molecules according to the present invention find use making substrate modifications such as post- translational modifications to proteins that are not the natural substrate of the enzyme. Diseases or disorders may be treated or prevented with molecules of the present disclosure.