diethyl 1-phenyl-1H-pyrazole-4,5-dicarboxylate | 16078-69-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diethyl 1-phenyl-1H-pyrazole-4,5-dicarboxylate
• 英文别名: 2-phenyl-2H-pyrazole-3,4-dicarboxylic acid diethyl ester；2-Phenyl-2H-pyrazol-3,4-dicarbonsaeure-diaethylester；1-Phenyl-pyrazol-dicarbonsaeure-(4,5)-diethylester；1-Phenyl-4,5-bis-ethoxycarbonyl-pyrazol；diethyl 2-phenylpyrazole-3,4-dicarboxylate
• CAS: 16078-69-6
• 化学式: C₁₅H₁₆N₂O₄
• 分子量: 288.303
• InChiKey: UCNMXFFIKFYTFO-UHFFFAOYSA-N

物化性质

• 沸点：
  168-173 °C(Press: 0.7 Torr)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 1-phenyl-1H-pyrazole-4,5-dicarboxylate 生成 2-phenyl-2H-pyrazole-3,4-dicarboxylic acid
  参考文献：
  名称：

  vic-DICARBOXYLIC ACID DERIVATIVES OF PYRAZOLE, ISOXAZOLE, AND PYRIMIDINE

  摘要：

  DOI：

  10.1021/jo01127a008
• 作为产物：
  描述：

  草酰乙酸二乙酯 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 22.0h， 生成 diethyl 1-phenyl-1H-pyrazole-4,5-dicarboxylate
  参考文献：
  名称：

  Menozzi; Mosti; Schenone, Il Farmaco, 1990, vol. 45, # 2, p. 167 - 186

  摘要：

  DOI：

文献信息

• Emotional Change Processes in Music-Assisted Reframing
  作者：T. Kerr、J. Walsh、A. Marshall

  DOI：10.1093/jmt/38.3.193

  日期：2001.9.1

  Affective processes are critical to understanding and promoting lasting therapeutic change. Using a sample of 40 anxious adults, the researchers examined the use of music to increase affective modification and emotional restructuring in a cognitive reframing intervention. Subjects were assigned to either a typical reframing intervention or a music-assisted reframing intervention. Using the State-Trait Anxiety Inventory, Subjective Units of Distress Scale, Depression Adjective Checklist, and a Think-Aloud measure, the groups were compared on basis of anxiety-reduction, affective modification, and imagery vividness. Results indicate that the music-assisted reframing intervention was more efficacious than the typical reframing intervention in reducing anxiety, modifying affect, and promoting imagery-vividness.

  情感过程对理解和促进持久的治疗变化至关重要。研究人员使用40名焦虑成年人的样本，考察了音乐在认知重构干预中提高情感修正和情绪重组的作用。受试者被分配到典型的重构干预或音乐辅助重构干预组。使用状态-特质焦虑量表、主观痛苦单位量表、抑郁形容词清单和思维大声测量，对两组在焦虑减少、情感修正和意象生动性方面进行了比较。结果表明，音乐辅助重构干预在减少焦虑、修正情感和促进意象生动性方面比典型的重构干预更有效。
• Regioselective synthesis of ethyl pyrazolecarboxylates from ethyl 3-[(dimethylamino)methylidene]pyruvate and diethyl 3-[(dimethylamino)methylidene]-2-oxosuccinate. Isolation of ethyl 4,5-dihydro-1-heteroaryl-5-hydroxy-1<b>H</b>-pyrazole-5-carboxylates as stable intermediates in the pyrazole ring formation
  作者：Andrej Hanzlowsky、Blanka Jelenčič、Simon Rečnik、Jurij Svete、Amalija Golobič、Branko Stanovnik

  DOI：10.1002/jhet.5570400313

  日期：2003.5

  stable intermediates, 1-substituted ethyl 4,5-dihydro-5-hydroxy-1H-pyrazole-5-carboxylates 8d-f, were isolated. Treatment of compounds 8d-f in acetic acid under reflux furnished the pyrazoles 9d-f. On the other hand, reaction of 3 with N,N′-dimethylhydrazine (51) gave ethyl 1-methyl-1H-pyrazole-3-carboxylate (14). The structures of compounds 3, 4, 14 were determined by nmr (noesy and hmbc techniques), while

  3-[（E）-（二甲基氨基）亚甲基]丙酮酸乙酯（3）和3-[（二甲基氨基）亚甲基] -2-氧代琥珀酸酯（4）与肼一盐酸盐（5a）和（杂）芳基肼（5b）的反应-i）区域选择性地分别提供1-取代的1 H-吡唑-5-羧酸乙酯9a-f和二乙基1 H-吡唑-3,4-二羧酸乙酯11a-i。用哒嗪基肼5d-f处理3时，稳定的中间体1-取代的4,5-二氢-5-羟基-1 H-吡唑-5-羧酸乙酯8d-f，被隔离。在乙酸中在回流下处理化合物8d-f，得到吡唑9d-f。另一方面，使3与N，N′-二甲基肼（51）反应，得到1-甲基-1H-吡唑-3-羧酸乙酯（14）。化合物的结构3,4，14通过NMR（NOESY和HMBC技术）确定，而化合物的结构8F，9F，和11E，F，用X射线衍射测定。
• MENOZZI, GIULIA;MOSTI, LUISA;SCHENONE, PIETRO;DONNOLI, DONATO;SCHIARITI, +, FARMACO., 45,(1990) N, C. 167-186
  作者：MENOZZI, GIULIA、MOSTI, LUISA、SCHENONE, PIETRO、DONNOLI, DONATO、SCHIARITI, +

  DOI：——

  日期：——