methyl 4-(3-tert-butoxycarbonylaminopropylsulfamoyl)-3-nitrobenzoate | 575434-16-1

• 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: methyl 4-(3-tert-butoxycarbonylaminopropylsulfamoyl)-3-nitrobenzoate
• 英文别名: Methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]-3-nitrobenzoate
• CAS: 575434-16-1
• 化学式: C₁₆H₂₃N₃O₈S
• 分子量: 417.44
• InChiKey: USTRPZZDEKZKRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  9-(3-iodopropyl)anthracene 、 methyl 4-(3-tert-butoxycarbonylaminopropylsulfamoyl)-3-nitrobenzoate 在 PS-BEMP 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 以100%的产率得到methyl 4-[(3-anthracen-9-ylpropyl)(3-tert-butoxycarbonylaminopropyl)sulfamoyl]-3-nitrobenzoate
  参考文献：
  名称：

  Convenient Preparation and Use of a New Analytical Construct for the Analysis and Development of Solid-Phase Chemistries

  摘要：

  An expedient and scalable synthesis of a versatile new analytical construct intermediate 1 is described. The utility of the intermediate 1 is exemplified by the preparation of the construct resin 14 incorporating an acid-labile linker which is used to conveniently develop optimized conditions leading to the preparation of a small compound array 24{1-3,1-3}. The optimized conditions are shown to work equally well on both the construct resin 14 and the corresponding base resin 15.

  DOI：

  10.1021/jo034340p
• 作为产物：
  描述：

  N-叔丁氧羰基-1,3-丙二胺 、 4-氯磺酰基-3-硝基苯甲酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以92%的产率得到methyl 4-(3-tert-butoxycarbonylaminopropylsulfamoyl)-3-nitrobenzoate
  参考文献：
  名称：

  Convenient Preparation and Use of a New Analytical Construct for the Analysis and Development of Solid-Phase Chemistries

  摘要：

  An expedient and scalable synthesis of a versatile new analytical construct intermediate 1 is described. The utility of the intermediate 1 is exemplified by the preparation of the construct resin 14 incorporating an acid-labile linker which is used to conveniently develop optimized conditions leading to the preparation of a small compound array 24{1-3,1-3}. The optimized conditions are shown to work equally well on both the construct resin 14 and the corresponding base resin 15.

  DOI：

  10.1021/jo034340p

文献信息

• Convenient Preparation and Use of a New Analytical Construct for the Analysis and Development of Solid-Phase Chemistries
  作者：Stephen P. Andrews、Mark Ladlow

  DOI：10.1021/jo034340p

  日期：2003.7.1

  An expedient and scalable synthesis of a versatile new analytical construct intermediate 1 is described. The utility of the intermediate 1 is exemplified by the preparation of the construct resin 14 incorporating an acid-labile linker which is used to conveniently develop optimized conditions leading to the preparation of a small compound array 241-3,1-3}. The optimized conditions are shown to work equally well on both the construct resin 14 and the corresponding base resin 15.