4-{[(4-Nitrophenyl)sulfonyl]amino}butanoic acid | 85844-99-1

• 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: 4-{[(4-Nitrophenyl)sulfonyl]amino}butanoic acid
• 英文别名: 4-[(4-nitrophenyl)sulfonylamino]butanoic acid
• CAS: 85844-99-1
• 化学式: C₁₀H₁₂N₂O₆S
• mdl: MFCD00425182
• 分子量: 288.281
• InChiKey: SGRSMHPZWJZEHD-UHFFFAOYSA-N

物化性质

• 沸点：
  537.4±60.0 °C(Predicted)
• 密度：
  1.470±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-{[(4-Nitrophenyl)sulfonyl]amino}butanoic acid 在 吡啶 作用下， 以 氯仿 为溶剂， 以66%的产率得到1-((4-nitrophenyl)sulfonyl)pyrrolidin-2-one
  参考文献：
  名称：

  A convenient synthesis ofp-substituted 1-arylsulfonyl-pyrrolidin-2-ones

  摘要：

  A convenient and novel method of cyclisation of 4-(4-substituted-phenylsulfonamido)-butanoic acids to their corresponding p-substituted 1-arylsulfonyl-pyrrolidin-2-ones was achieved by using polyphosphate ester (PPE). The reaction times were considerably reduced, with an increase in yields, when PPE was used in combination with a catalytic amount of pyridine.

  DOI：

  10.1080/14786410802090375
• 作为产物：
  描述：

  对硝基苯磺酰氯 、 4-氨基丁酸 在 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 生成 4-{[(4-Nitrophenyl)sulfonyl]amino}butanoic acid
  参考文献：
  名称：

  A convenient synthesis ofp-substituted 1-arylsulfonyl-pyrrolidin-2-ones

  摘要：

  A convenient and novel method of cyclisation of 4-(4-substituted-phenylsulfonamido)-butanoic acids to their corresponding p-substituted 1-arylsulfonyl-pyrrolidin-2-ones was achieved by using polyphosphate ester (PPE). The reaction times were considerably reduced, with an increase in yields, when PPE was used in combination with a catalytic amount of pyridine.

  DOI：

  10.1080/14786410802090375

文献信息

• A convenient synthesis of<i>p</i>-substituted 1-arylsulfonyl-pyrrolidin-2-ones
  作者：Muhammad Zareef、Rashid Iqbal、Khalid M. Khan、Javid H. Zaidi、Zia-Ullah、Muhammad Arfan

  DOI：10.1080/14786410802090375

  日期：2009.3.20

  A convenient and novel method of cyclisation of 4-(4-substituted-phenylsulfonamido)-butanoic acids to their corresponding p-substituted 1-arylsulfonyl-pyrrolidin-2-ones was achieved by using polyphosphate ester (PPE). The reaction times were considerably reduced, with an increase in yields, when PPE was used in combination with a catalytic amount of pyridine.