1-[(1R)-1-naphthalen-1-ylethyl]-3-[2-[(2S)-1,1,1-trideuteriopropan-2-yl]phenyl]urea | 1092558-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(1R)-1-naphthalen-1-ylethyl]-3-[2-[(2S)-1,1,1-trideuteriopropan-2-yl]phenyl]urea
• CAS: 1092558-03-6
• 化学式: C₂₂H₂₄N₂O
• 分子量: 335.422
• InChiKey: XDYPBIXYGALIGK-MKCHWIFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (S)-2-(1-methyl-2,2,2-tridueterioethyl)aniline 、 (R)-(-)-1-萘乙基异氰酸酯 生成 、 1-[(1R)-1-naphthalen-1-ylethyl]-3-[2-[(2S)-1,1,1-trideuteriopropan-2-yl]phenyl]urea
  参考文献：
  名称：

  Synthesis of enantiomerically enriched isotopically-labelled anilines by (−)-sparteine directed lithiation

  摘要：

  Anilines bearing benzyl or isopropyl groups isotopically labelled (with H-2 or C-13) in one of a pair of enantiotopic protons or methyl groups can be made using (-)-sparteine-directed lithiation with an electrophilic quench, followed by deprotection. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.09.014

文献信息

• Synthesis of enantiomerically enriched isotopically-labelled anilines by (−)-sparteine directed lithiation
  作者：Jonathan Clayden、Loïc Lemiègre、Mark Pickworth

  DOI：10.1016/j.tetasy.2008.09.014

  日期：2008.9

  Anilines bearing benzyl or isopropyl groups isotopically labelled (with H-2 or C-13) in one of a pair of enantiotopic protons or methyl groups can be made using (-)-sparteine-directed lithiation with an electrophilic quench, followed by deprotection. (C) 2008 Elsevier Ltd. All rights reserved.