5-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole | 790661-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole
• 英文别名: 4-(Trifluoromethyl)-5-(4-nitrophenyl)-1H-pyrazole；5-(4-nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole
• CAS: 790661-64-2
• 化学式: C₁₀H₆F₃N₃O₂
• 分子量: 257.172
• InChiKey: FKHZRLOLGXOAPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 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：
  74.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-硝基苄基三苯基溴蓊盐 在 sodium hydroxide 作用下， 以 乙醚 、 苯 为溶剂， 25.0~280.0 ℃ 、1.33 kPa 条件下， 生成 5-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole
  参考文献：
  名称：

  Kobayashi, Yoshiro; Yamashita, Toshinori; Takahashi, Katsuhiro, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 11, p. 4402 - 4409

  摘要：

  DOI：

文献信息

• Tributyl(3,3,3-trifluoro-1-propynyl)stannane as an efficient reagent for the preparation of various trifluoromethylated heterocyclic compounds
  作者：Takeshi Hanamoto、Yuhko Hakoshima、Mikio Egashira

  DOI：10.1016/j.tetlet.2004.08.118

  日期：2004.10

  1,3-dipolar cycloaddition of the stannane with diazomethane, phenylazide, and acetonitrile oxide smoothly proceeded to give the corresponding (tributylstannyl)trifluoromethyl-pyrazole, -triazole, and -isoxazole in good yields, respectively. These heterocyclic compounds are proved to be useful building blocks for the regioselective introduction of a functional group such as an aryl group or iodine.

  一步合成2-丁基-3,3,3-三氟丙烯很容易合成三丁基（3,3,3-三氟-1-丙炔基）锡烷。锡烷与重氮甲烷，苯叠氮化物和乙腈氧化物的1,3-偶极环加成反应顺利进行，分别以良好的产率得到相应的（三丁基锡烷基）三氟甲基-吡唑，-三唑和-异恶唑。这些杂环化合物被证明是用于区域选择性引入官能团例如芳基或碘的有用的结构单元。
• Compounds and their use for reducing uric acid levels
  申请人：Acquist LLC

  公开号：US10752613B2

  公开（公告）日：2020-08-25

  Bifunctional compounds that increase uric acid excretion and reduce uric acid production, and monofunctional compounds that either increase uric acid excretion or reduce uric acid production. Methods of using these compounds for reducing uric acid levels in blood or serum, for treating disorders of uric acid metabolism, and for maintaining normal uric acid levels in blood or serum are also provided. Pharmaceutical compositions comprising the bifunctional and monofunctional compounds are also provided.

  提供了可增加尿酸排泄和减少尿酸生成的双官能化合物，以及可增加尿酸排泄或减少尿酸生成的单官能化合物。还提供了使用这些化合物降低血液或血清中尿酸水平、治疗尿酸代谢紊乱以及维持血液或血清中正常尿酸水平的方法。还提供了包含双官能和单官能化合物的药物组合物。
• Compounds And Their Use For Reducing Uric Acid Levels
  申请人：Acquist LLC

  公开号：US20200339545A1

  公开（公告）日：2020-10-29

  Bifunctional compounds that increase uric acid excretion and reduce uric acid production, and monofunctional compounds that either increase uric acid excretion or reduce uric acid production. Methods of using these compounds for reducing uric acid levels in blood or serum, for treating disorders of uric acid metabolism, and for maintaining normal uric acid levels in blood or serum are also provided. Pharmaceutical compositions comprising the bifunctional and monofunctional compounds are also provided.
• Kobayashi, Yoshiro; Yamashita, Toshinori; Takahashi, Katsuhiro, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 11, p. 4402 - 4409
  作者：Kobayashi, Yoshiro、Yamashita, Toshinori、Takahashi, Katsuhiro、Kuroda, Hisashi、Kumadaki, Itsumaro

  DOI：——

  日期：——