7-((benzyloxycarbonyl)amino)-4-(2-nitrobenzrnesulfonyl)-4-azaheptan-1-yl bromide | 437718-27-9

• 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: 7-((benzyloxycarbonyl)amino)-4-(2-nitrobenzrnesulfonyl)-4-azaheptan-1-yl bromide
• CAS: 437718-27-9
• 化学式: C₂₀H₂₄BrN₃O₆S
• 分子量: 514.397
• InChiKey: YZNMRKGPBHMFAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  31.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  118.85
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7-((benzyloxycarbonyl)amino)-4-(2-nitrobenzrnesulfonyl)-4-azaheptan-1-yl bromide 在 四丁基碘化铵 、 caesium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 {3-[{3-[{4-[(S)-3-Carbamoyl-2-(2-1H-indol-3-yl-acetylamino)-propionylamino]-butyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  An efficient and versatile synthesis of acylpolyamine spider toxins

  摘要：

  An efficient and versatile synthesis of acylpolyamine spider toxins was developed based on the structural classification of the Nephila and Nephilengys spider toxins using the 2-nitrobenzenesulfonamide protecting group. The naturally occurring toxins 1-5 representing each structural type have been efficiently synthesized by this method in a high overall yield with few steps. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00733-8
• 作为产物：
  描述：

  氯甲酸苄酯 在 caesium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 7-((benzyloxycarbonyl)amino)-4-(2-nitrobenzrnesulfonyl)-4-azaheptan-1-yl bromide
  参考文献：
  名称：

  An efficient and versatile synthesis of acylpolyamine spider toxins

  摘要：

  An efficient and versatile synthesis of acylpolyamine spider toxins was developed based on the structural classification of the Nephila and Nephilengys spider toxins using the 2-nitrobenzenesulfonamide protecting group. The naturally occurring toxins 1-5 representing each structural type have been efficiently synthesized by this method in a high overall yield with few steps. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00733-8

文献信息

• An efficient and versatile synthesis of all structural types of acylpolyamine spider toxins
  作者：Ken-ichi Nihei、Massuo J. Kato、Tetsuo Yamane、Katsuhiro Konno

  DOI：10.1016/j.tet.2006.06.051

  日期：2006.8

  An efficient and versatile synthesis of acylpolyamine spider toxins of all structural types classified by extensive MS analysis has been achieved. By using 2-nitrobenzenesulfonamide as an effective activating and/or protecting group (the Nosyl strategy), the naturally occurring toxins 1-8 corresponding to Types A-F were concisely synthesized in high overall yield. (c) 2006 Elsevier Ltd. All rights reserved.