2,4-dihydro-2-(3-chlorophenyl)-5-trifluoromethyl-3H-pyrazol-3-one | 874766-68-4

• 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: 2,4-dihydro-2-(3-chlorophenyl)-5-trifluoromethyl-3H-pyrazol-3-one
• 英文别名: 1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazolin-5-one；1-(3-Chlorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one；2-(3-chlorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
• CAS: 874766-68-4
• 化学式: C₁₀H₆ClF₃N₂O
• mdl: MFCD01569517
• 分子量: 262.619
• InChiKey: QHKPJBHSNHUPAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-dihydro-2-(3-chlorophenyl)-5-trifluoromethyl-3H-pyrazol-3-one 在 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-ethanesulfonyl azide 、 三乙胺 作用下， 以 二氯甲烷 、 邻二氯苯 为溶剂， 反应 7.0h， 生成 diethyl 1-(3-chlorophenyl)-3-(trifluoromethyl)-1H-furo[2,3-c]pyrazole-4,5-dicarboxylate
  参考文献：
  名称：

  1,3-Dipolar cycloaddition reaction of 3-trifluoromethyl-4-diazopyrazolinones with acetylenedicarboxylates

  摘要：

  Refluxing of 3-trifluoromethyl-4-diazopyrazolinones 1 with dimethyl acetylenedicarboxylates 2 in toluene for 48 h afforded trifluoromethyl-substituted pyrazolo [1,5-d][1,2,4]triazin-7-ones, which resulted from the [3+2] dipolar cycloaddition followed by a rearrangement of the initially produced spiro 3H-pyrazole adducts. However, when 1 was heated to 160 degrees C in dichlorobenzene (o-DCB) for 8 h, it lost nitrogen and reacted with 2 to give 3-trifluoromethyl furo[2,3-c]pyrazoles. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.062
• 作为产物：
  描述：

  3-氯苯肼盐酸盐 、 三氟乙酰乙酸乙酯 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 2,4-dihydro-2-(3-chlorophenyl)-5-trifluoromethyl-3H-pyrazol-3-one
  参考文献：
  名称：

  Novel hybrids of 3-n-butylphthalide and edaravone: Design, synthesis and evaluations as potential anti-ischemic stroke agents

  摘要：

  Fourteen hybrids (10a-g, 11a-g) of 3-n-butylphthalide (NBP) and edaravone (Eda) analogues have been designed and synthesized as potential anti-ischemic stroke agents. In vitro biological studies showed that compounds 10d and 10g exhibited more potent anti-platelet aggregation than ticlopidine (Ticlid), aspirin (ASP) and NBP. Compound 10g more significantly prevented H2O2-mediated neuronal cell (PC12) death than NBP, Eda or NBP together with Eda. Meanwhile, 10g also possessed potent radical scavenging effects on hydroxyl radical ((OH)-O-center dot) and superoxide anion radical (O-center dot(2)-). Our findings may provide new insights into the development of these hybrids, like 10g, for the intervention of ischemic stroke. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.090

文献信息

• 2-(pyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3 (2H)-One 1, 1-dioxides
  申请人：Sanofi

  公开号：US05750550A1

  公开（公告）日：1998-05-12

  2-(Pyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxides, pharmaceutical compositions containing them and methods for the treatment of degenerative diseases utilizing them.

  2-(吡唑-5-基氧甲基)-1,2-苯并异噻唑-3(2H)-酮-1,1-二氧化物，含有它们的药物组合物以及利用它们治疗退行性疾病的方法。
• Synthesis of 4‐Alkenylated Pyrazolinones by 2,3‐Dichloro‐5,6‐dicyano‐1,4‐benzoquinone (DDQ)‐Mediated Oxidative Coupling Reaction
  作者：Yuhui Tao、Huafang Gu、Hongshuang Xia、Hongjiao Yang、Jinghua Li、Xiaoliang Xu、Dongping Cheng

  DOI：10.1002/ejoc.202201480

  日期：2023.2.13

  Synthesis of 4-alkenylated pyrazolinones derivatives by 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)-mediated oxidative coupling reaction of 1,3-diarylpropenes with pyrazolinones. The methodology has the advantages of metal-free, one-pot, high atom economy, and mild condition.

  通过 2,3-二氯-5,6-二氰基-1,4-苯醌 (DDQ) 介导的 1,3-二芳基丙烯与吡唑啉酮的氧化偶联反应合成 4-烯基化吡唑啉酮衍生物。该方法具有无金属、一锅法、原子经济性高、条件温和等优点。
• [EN] 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] 1,1-DIOXYDES DE 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZOTHIAZOL-3(2H)-ONE ET COMPOSITIONS PHARMACEUTIQUE LES CONTENANT
  申请人：SANOFI

  公开号：WO1997010243A1

  公开（公告）日：1997-03-20

  (EN) 2-(Pyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxides of formula (I), pharmaceutical compositions containing them and methods for the treatment of degenerative diseases utilizing them.(FR) La présente invention concerne des 1,1-dioxydes de 2-(pyrazol-5-yl-oxyméthyl)-1,2-benzothiazol-3(2H)-one représentés par la formule (I). L'invention concerne également des compositions pharmaceutiques les contenant et des procédés de traitement d'affections dégénératives dans lesquels ces compostions pharmaceutiques sont utilisées.

  这项发明涉及以下化合物及其衍生物：具有分子结构(I)的1,1-二氧杂化物，名称为2-(五碳二氮并苯并oxymethyl)-1,2-苯并噻杂环-3(2H)-ione。该发明同时也涉及含有这些化合物的药物组合物和用于治疗退行性疾病的方法。
• N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT
  申请人：Otsuka AgriTechno Co., Ltd

  公开号：EP2050745B1

  公开（公告）日：2012-03-21
• Endait, Rupali S.; Karale, Bhausaheb K.; Akolkar, Hemantkumar N., Indian Journal of Heterocyclic Chemistry, 2016, vol. 26, # 3-4, p. 141 - 146
  作者：Endait, Rupali S.、Karale, Bhausaheb K.、Akolkar, Hemantkumar N.、Randhavane, Pratibha V.

  DOI：——

  日期：——