N-Acetyl-L-(4-aminophenyl)glycine | 112295-52-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Acetyl-L-(4-aminophenyl)glycine
• 英文别名: 2(S)-acetamido-2-(4-aminophenyl)-acetic acid；(2S)-(Acetylamino)(4-aminophenyl)ethanoic acid；(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
• CAS: 112295-52-0
• 化学式: C₁₀H₁₂N₂O₃
• 分子量: 208.217
• InChiKey: ODQPZWCEOPHTDM-VIFPVBQESA-N

物化性质

• 熔点：
  198-202 °C (decomp)
• 沸点：
  529.6±45.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Acetyl-L-(4-aminophenyl)glycine 生成 trans-(D)-4-guanidinocyclohexylglycine
  参考文献：
  名称：

  Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them

  摘要：

  公开号：

  EP0230037B1
• 作为产物：
  描述：

  L-苯甘氨酸 在 palladium on activated charcoal sodium hydroxide 、 硫酸 、 硝酸 、 环己烯 作用下， 反应 2.75h， 生成 N-Acetyl-L-(4-aminophenyl)glycine
  参考文献：
  名称：

  Synthesis of 2-[4‘-(Ethylcarbamoyl)phenyl]-N-acetylglycine, the Proposed Structure for Giganticine

  摘要：

  A compound (1) with the structure proposed for giganticine, an antifeedant principle isolated from the root bark of Caloropis gigantea, has been successfully synthesized by two independent methods. Comparison of physical properties and spectroscopic data of 1 with giganticine revealed that they are different compounds. All available evidence suggests that the proposed structure of giganticine is incorrect.

  DOI：

  10.1021/np010046l

文献信息

• GOTO, RENSUKE;IIZUKA, YUKIZUMI;UNNO, KEIKO;OKADA, SHOJI;TAMEMASA, OSAMU, J. PHARM. SOC. JAP., 108,(1988) N 3, 246-249
  作者：GOTO, RENSUKE、IIZUKA, YUKIZUMI、UNNO, KEIKO、OKADA, SHOJI、TAMEMASA, OSAMU

  DOI：——

  日期：——
• US4789681A
  申请人：——

  公开号：US4789681A

  公开（公告）日：1988-12-06
• Synthesis of 2-[4‘-(Ethylcarbamoyl)phenyl]-<i>N</i>-acetylglycine, the Proposed Structure for Giganticine
  作者：Chaturong Suparpprom、Tirayut Vilaivan

  DOI：10.1021/np010046l

  日期：2001.8.1

  A compound (1) with the structure proposed for giganticine, an antifeedant principle isolated from the root bark of Caloropis gigantea, has been successfully synthesized by two independent methods. Comparison of physical properties and spectroscopic data of 1 with giganticine revealed that they are different compounds. All available evidence suggests that the proposed structure of giganticine is incorrect.
• Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them
  申请人：ITALFARMACO S.p.A.

  公开号：EP0230037B1

  公开（公告）日：1991-03-06