[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]phenylketone | 312316-75-9

• 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: [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]phenylketone
• 英文别名: [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](phenyl)methanone；[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-phenylmethanone
• CAS: 312316-75-9
• 化学式: C₁₆H₁₇F₃N₂O₂
• 分子量: 326.318
• InChiKey: UHCAROJGZXBMAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ammonium hydroxide 、 [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]phenylketone 、 nickel diacetate 以 乙醇 为溶剂， 反应 72.0h， 以81%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of nickel(II) complex based on 2-trifluoroacetylcycloalkanone benzoylhydrazones

  摘要：

  The reaction of ethanol solutions of benzoylhydrazones of 2-trifluoroacetylcycloalkanones (H2L) with a solution of nickel(II) acetate in aqueous ammonia in 1 : 1 ratio gave complexes NiL center dot NH3 with square structure. The composition and structure of the complexes were determined by elemental analysis, IR and 1H NMR spectroscopy, and X-ray diffraction analysis.

  DOI：

  10.1134/s1070328414070094
• 作为产物：
  描述：

  2-(三氟乙酰基)环庚酮 、 苯甲酰肼 以 乙醇 为溶剂， 反应 1.0h， 以65%的产率得到[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]phenylketone
  参考文献：
  名称：

  Reactions of 2-perfluoroacylcycloalkanones with benzoylhydrazine

  摘要：

  DOI：

  10.1134/s1070428016020202

文献信息

• Reactions of 2-perfluoroacylcycloalkanones with benzoylhydrazine
  作者：A. A. Petrov、V. V. Pakal’nis、I. V. Zerova、S. I. Yakimovich

  DOI：10.1134/s1070428016020202

  日期：2016.2
• Synthesis and crystal structure of nickel(II) complex based on 2-trifluoroacetylcycloalkanone benzoylhydrazones
  作者：B. B. Umarov、K. G. Avezov、M. A. Tursunov、N. G. Sevinchov、N. A. Parpiev、G. G. Aleksandrov

  DOI：10.1134/s1070328414070094

  日期：2014.7

  The reaction of ethanol solutions of benzoylhydrazones of 2-trifluoroacetylcycloalkanones (H2L) with a solution of nickel(II) acetate in aqueous ammonia in 1 : 1 ratio gave complexes NiL center dot NH3 with square structure. The composition and structure of the complexes were determined by elemental analysis, IR and 1H NMR spectroscopy, and X-ray diffraction analysis.