methyl 4-(4-acetylbenzenesulfonylamino)butanoate | 1307988-50-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 4-(4-acetylbenzenesulfonylamino)butanoate
• 英文别名: Methyl 4-[(4-acetylphenyl)sulfonylamino]butanoate
• CAS: 1307988-50-6
• 化学式: C₁₃H₁₇NO₅S
• 分子量: 299.348
• InChiKey: DFJGUAGWFJZSOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-乙酰基苯磺酰氯 、 4-氨基丁酸甲酯 在 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 以80%的产率得到methyl 4-(4-acetylbenzenesulfonylamino)butanoate
  参考文献：
  名称：

  Building a Sulfonamide Library by Eco-Friendly Flow Synthesis

  摘要：

  A rapid and eco-friendly synthesis of a sulfonamide library under flow conditions is described. The study illustrates an efficient, safe, and easily scalable preparation of sulfonamides by use of a meso-reactor apparatus, thus demonstrating the impact of flow technologies within drug discovery. Waste minimization, employment of green media, and nontoxic reactants are achieved by the optimization of the flow setup and experimental protocol designed to sequentially synthesize primary, secondary, and tertiary sulfonamides. Isolation of the products involves only extraction and precipitation affording pure compounds in good to high yields without further purification for biological evaluation.

  DOI：

  10.1021/co400012m

文献信息

• Building a Sulfonamide Library by Eco-Friendly Flow Synthesis
  作者：Antimo Gioiello、Emiliano Rosatelli、Michela Teofrasti、Paolo Filipponi、Roberto Pellicciari

  DOI：10.1021/co400012m

  日期：2013.5.13

  A rapid and eco-friendly synthesis of a sulfonamide library under flow conditions is described. The study illustrates an efficient, safe, and easily scalable preparation of sulfonamides by use of a meso-reactor apparatus, thus demonstrating the impact of flow technologies within drug discovery. Waste minimization, employment of green media, and nontoxic reactants are achieved by the optimization of the flow setup and experimental protocol designed to sequentially synthesize primary, secondary, and tertiary sulfonamides. Isolation of the products involves only extraction and precipitation affording pure compounds in good to high yields without further purification for biological evaluation.