(N'-Benzhydrylidene-N-phenyl-hydrazinocarbonyl)-acetic acid ethyl ester | 337533-95-6

• 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: (N'-Benzhydrylidene-N-phenyl-hydrazinocarbonyl)-acetic acid ethyl ester
• 英文别名: ethyl 3-(N-(benzhydrylideneamino)anilino)-3-oxopropanoate
• CAS: 337533-95-6
• 化学式: C₂₄H₂₂N₂O₃
• 分子量: 386.45
• InChiKey: KUAGFNQYMNCJOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (N'-Benzhydrylidene-N-phenyl-hydrazinocarbonyl)-acetic acid ethyl ester 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以68%的产率得到3-ethoxy-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
  参考文献：
  名称：

  Novel application of the palladium-catalyzed N-arylation of hydrazones to a versatile new synthesis of pyrazoles

  摘要：

  A versatile synthesis of pyrazoles from aryl benzophenone hydrazones was demonstrated with a variety of 1,3-bifunctional substrates under acidic conditions. The obtained regioselectivity is consistent with transhydrazonation followed by subsequent cyclization. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00245-9
• 作为产物：
  描述：

  二苯甲酮腙 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.17h， 生成 (N'-Benzhydrylidene-N-phenyl-hydrazinocarbonyl)-acetic acid ethyl ester
  参考文献：
  名称：

  Novel application of the palladium-catalyzed N-arylation of hydrazones to a versatile new synthesis of pyrazoles

  摘要：

  A versatile synthesis of pyrazoles from aryl benzophenone hydrazones was demonstrated with a variety of 1,3-bifunctional substrates under acidic conditions. The obtained regioselectivity is consistent with transhydrazonation followed by subsequent cyclization. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00245-9

文献信息

• Novel application of the palladium-catalyzed N-arylation of hydrazones to a versatile new synthesis of pyrazoles
  作者：Nizar Haddad、James Baron

  DOI：10.1016/s0040-4039(02)00245-9

  日期：2002.3

  A versatile synthesis of pyrazoles from aryl benzophenone hydrazones was demonstrated with a variety of 1,3-bifunctional substrates under acidic conditions. The obtained regioselectivity is consistent with transhydrazonation followed by subsequent cyclization. (C) 2002 Elsevier Science Ltd. All rights reserved.