3-[2-oxo-1-(4-chlorophenylhydrazono)propylamino]propionic acid

• 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-[2-oxo-1-(4-chlorophenylhydrazono)propylamino]propionic acid
• 英文别名: 3-[[1-[2-(4-chlorophenyl)hydrazinyl]-2-oxopropylidene]amino]propanoic acid
• 化学式: C₁₂H₁₄ClN₃O₃
• 分子量: 283.714
• InChiKey: JSYSPGWKIJVJPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[2-oxo-1-(4-chlorophenylhydrazono)propylamino]propionic acid 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到3-acetyl-1-(4-chlorophenyl)-1,4,5,6-tetrahydro-1H-1,2,4-triazepin-7-one
  参考文献：
  名称：

  On the Synthesis of 3-Acetyl-1-aryl-1,4,5,6-tetrahydro-1 H -1,2,4-triazepin-7-ones by Reaction of Nitrilimines with 3-Aminopropanoic Acid

  摘要：

  Nitrilimines were prepared from N-arylhydrazono chlorides and reacted with beta-alanine yielding the corresponding amidrazones, which were treated with 1,1'-carbonyldiimidazole in THF affording the hitherto unknown 3-acetyl-1-aryl-1,4,5,6-tetrahydro-1,2,4-triazepin-7-ones.

  DOI：

  10.1007/s00706-003-0092-3
• 作为产物：
  描述：

  1-chloro-1-[(4-chlorophenyl)hydrazono]propanone 、 β-丙氨酸 在 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以68%的产率得到3-[2-oxo-1-(4-chlorophenylhydrazono)propylamino]propionic acid
  参考文献：
  名称：

  On the Synthesis of 3-Acetyl-1-aryl-1,4,5,6-tetrahydro-1 H -1,2,4-triazepin-7-ones by Reaction of Nitrilimines with 3-Aminopropanoic Acid

  摘要：

  Nitrilimines were prepared from N-arylhydrazono chlorides and reacted with beta-alanine yielding the corresponding amidrazones, which were treated with 1,1'-carbonyldiimidazole in THF affording the hitherto unknown 3-acetyl-1-aryl-1,4,5,6-tetrahydro-1,2,4-triazepin-7-ones.

  DOI：

  10.1007/s00706-003-0092-3

文献信息

• On the Synthesis of 3-Acetyl-1-aryl-1,4,5,6-tetrahydro-1 H -1,2,4-triazepin-7-ones by Reaction of Nitrilimines with 3-Aminopropanoic Acid
  作者：Bassam Abu Thaher、Jalal A. Zahra、Mustafa M. El-Abadelah、Hans-Hartwig Otto

  DOI：10.1007/s00706-003-0092-3

  日期：2004.4.1

  Nitrilimines were prepared from N-arylhydrazono chlorides and reacted with beta-alanine yielding the corresponding amidrazones, which were treated with 1,1'-carbonyldiimidazole in THF affording the hitherto unknown 3-acetyl-1-aryl-1,4,5,6-tetrahydro-1,2,4-triazepin-7-ones.