(2'R,3'S,4'R,1''R)-4-[2'-(1''-benzenesulfonylmethyl-2''-phenylethyl)-3',4'-isopropylidenedioxypyrrolidin-1'-yl]pyridine | 868672-26-8

• 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: (2'R,3'S,4'R,1''R)-4-[2'-(1''-benzenesulfonylmethyl-2''-phenylethyl)-3',4'-isopropylidenedioxypyrrolidin-1'-yl]pyridine
• 英文别名: (3aS,4R,6aR)-4-[(1R)-1-(benzenesulfonyl)-2-phenylethyl]-2,2-dimethyl-5-pyridin-4-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
• CAS: 868672-26-8
• 化学式: C₂₆H₂₈N₂O₄S
• 分子量: 464.585
• InChiKey: MJVMAYPYQFTQFB-ZKGSSEMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2'R,3'S,4'R,1''R)-4-[2'-(1''-benzenesulfonylmethyl-2''-phenylethyl)-3',4'-isopropylidenedioxypyrrolidin-1'-yl]pyridine 、 溴甲苯 以 四氢呋喃 为溶剂， 以90%的产率得到(2'R,3'S,4'R,1''R)-4-[2'-(1''-benzenesulfonylmethyl-2''-phenylethyl)-3',4'-isopropylidenedioxypyrrolidin-1'-yl]N-benzylpyridinium bromide
  参考文献：
  名称：

  Chemistry of sulfones: synthesis of a new chiral nucleophilic catalyst

  摘要：

  A chiral pyrrolidinopyridine was synthesized by using Buchwald methodology. The sulfone was used to add a benzyl group, which positioned a phenyl near the reacting position. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.08.009
• 作为产物：
  描述：

  (2S,3S,4R)-2-benzenesulfonylmethyl-3,4-isopropylidenedioxypyrrolidine 在 正丁基锂 、 tris(dibenzylideneacetone)dipalladium (0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 48.0h， 生成 (2'R,3'S,4'R,1''R)-4-[2'-(1''-benzenesulfonylmethyl-2''-phenylethyl)-3',4'-isopropylidenedioxypyrrolidin-1'-yl]pyridine
  参考文献：
  名称：

  Chemistry of sulfones: synthesis of a new chiral nucleophilic catalyst

  摘要：

  A chiral pyrrolidinopyridine was synthesized by using Buchwald methodology. The sulfone was used to add a benzyl group, which positioned a phenyl near the reacting position. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.08.009

文献信息

• Chemistry of sulfones: synthesis of a new chiral nucleophilic catalyst
  作者：David Díez、Maria J. Gil、Rosalina F. Moro、Narciso M. Garrido、Isidro S. Marcos、Pilar Basabe、Francisca Sanz、Howard B. Broughton、Julio G. Urones

  DOI：10.1016/j.tetasy.2005.08.009

  日期：2005.9

  A chiral pyrrolidinopyridine was synthesized by using Buchwald methodology. The sulfone was used to add a benzyl group, which positioned a phenyl near the reacting position. (c) 2005 Elsevier Ltd. All rights reserved.