4-methyl-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide | 1558033-42-3

• 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: 4-methyl-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
• CAS: 1558033-42-3
• 化学式: C₁₁H₁₆N₂O₂S
• 分子量: 240.326
• InChiKey: QSNKBVTUDHWNIA-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 4-methyl-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide 在 三乙胺 作用下， 以46%的产率得到
  参考文献：
  名称：

  Recognition of mandelate stereoisomers by chiral porphyrin hosts: prediction of stereopreference in guest binding a priori using a simple binding model?

  摘要：

  Rigid porphyrin hosts that mimic the spatial arrangement of mandelate recognition motifs lead to stereoselective receptors and illustrate how subtle structural differences in host design have significant impact on guest recognition. The porphyrin hosts are obtained with minimal synthetic effort from readily available chiral amine precursors and are modular in design. The chiral recognition properties of the porphyrin-based hosts with chiral carboxylate-containing guests and chiral amines are described. UV/vis and H-1 NMR spectroscopic results indicate some of these porphyrin hosts undergo an induced fit conformational change upon guest binding. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.046
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-methyl-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
  参考文献：
  名称：

  Recognition of mandelate stereoisomers by chiral porphyrin hosts: prediction of stereopreference in guest binding a priori using a simple binding model?

  摘要：

  Rigid porphyrin hosts that mimic the spatial arrangement of mandelate recognition motifs lead to stereoselective receptors and illustrate how subtle structural differences in host design have significant impact on guest recognition. The porphyrin hosts are obtained with minimal synthetic effort from readily available chiral amine precursors and are modular in design. The chiral recognition properties of the porphyrin-based hosts with chiral carboxylate-containing guests and chiral amines are described. UV/vis and H-1 NMR spectroscopic results indicate some of these porphyrin hosts undergo an induced fit conformational change upon guest binding. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.046

文献信息

• ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：EP2488525B1

  公开（公告）日：2018-04-25
• US9193731B2
  申请人：——

  公开号：US9193731B2

  公开（公告）日：2015-11-24
• Recognition of mandelate stereoisomers by chiral porphyrin hosts: prediction of stereopreference in guest binding a priori using a simple binding model?
  作者：Vijay Nandipati、Karthik Akinapelli、Lakshmi Koya、Stephen D. Starnes

  DOI：10.1016/j.tetlet.2013.12.046

  日期：2014.1

  Rigid porphyrin hosts that mimic the spatial arrangement of mandelate recognition motifs lead to stereoselective receptors and illustrate how subtle structural differences in host design have significant impact on guest recognition. The porphyrin hosts are obtained with minimal synthetic effort from readily available chiral amine precursors and are modular in design. The chiral recognition properties of the porphyrin-based hosts with chiral carboxylate-containing guests and chiral amines are described. UV/vis and H-1 NMR spectroscopic results indicate some of these porphyrin hosts undergo an induced fit conformational change upon guest binding. (C) 2013 Elsevier Ltd. All rights reserved.