2,2'-bis[N-[(S)-1-hydroxymethyl-2-methylpropyl]carbamoyl]diphenylsulfide | 1224301-65-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2'-bis[N-[(S)-1-hydroxymethyl-2-methylpropyl]carbamoyl]diphenylsulfide
• 英文别名: N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]phenyl]sulfanylbenzamide
• CAS: 1224301-65-8
• 化学式: C₂₄H₃₂N₂O₄S
• 分子量: 444.595
• InChiKey: FCRWUXQDYUWSPQ-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  L-缬氨醇 、 2,2'-thiodibenzoic acid chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以1.22 g的产率得到2,2'-bis[N-[(S)-1-hydroxymethyl-2-methylpropyl]carbamoyl]diphenylsulfide
  参考文献：
  名称：

  Rational tuning of the rigidity of a ligand scaffold: synthesis of diphenylsulfide-linked bis(oxazoline) ligands and their application in asymmetric allylic alkylation

  摘要：

  The scaffold rigidity of bis(oxazoline) ligands was rationally tuned on the basis of literature information. Diphenylsulfide-linked bis(oxazoline) ligands with a flexible scaffold were efficiently synthesized to test our hypothesis. The improved enantioselectivity in palladium-catalyzed asymmetric allylic alkylation reaction was achieved as we expected. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.01.015

文献信息

• Rational tuning of the rigidity of a ligand scaffold: synthesis of diphenylsulfide-linked bis(oxazoline) ligands and their application in asymmetric allylic alkylation
  作者：Xian Du、Han Liu、Da-Ming Du

  DOI：10.1016/j.tetasy.2010.01.015

  日期：2010.2

  The scaffold rigidity of bis(oxazoline) ligands was rationally tuned on the basis of literature information. Diphenylsulfide-linked bis(oxazoline) ligands with a flexible scaffold were efficiently synthesized to test our hypothesis. The improved enantioselectivity in palladium-catalyzed asymmetric allylic alkylation reaction was achieved as we expected. (C) 2010 Elsevier Ltd. All rights reserved.