(1R,2R)-1-chloro-1-phenylpropan-2-amine

• 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: (1R,2R)-1-chloro-1-phenylpropan-2-amine
• 化学式: C₉H₁₂ClN
• 分子量: 169.654
• InChiKey: JYMAASGIKPNKOV-APPZFPTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (1R,2R)-1-chloro-1-phenylpropan-2-amine 在 sodium methylate 、 三乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 (1S,2S)-15N-2-benzyl-1-phenylpropane-1,2-diamine hydrochloride
  参考文献：
  名称：

  Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: tools for the NMR study of platinum-based anticancer compounds

  摘要：

  A new method for the synthesis of N-15-labeled chiral beta-diamines from a common precursor, either optically pure amino acids or anti-beta-amino alcohols, is reported. The two diastereomeric series of vicinal diamines are produced through the nucleophilic ring opening of activated chiral aziridines. N-15 was introduced by means of [N-15]-benzylamine, prepared from (NH4Cl)-N-15. The final compounds are highly valuable because [H-1-N-15] NMR is considered a powerful tool for studying the chemical properties of platinum-based complexes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.079
• 作为产物：
  描述：

  去甲麻黄碱 、 氯化亚砜 以86%的产率得到
  参考文献：
  名称：

  TOMIE M.; SUGIMOTO H.; YONEDA N., CHEM. AND PHARM. BULL. , 1976, 24, NO 5, 1033-1039

  摘要：

  DOI：

文献信息

• Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: tools for the NMR study of platinum-based anticancer compounds
  作者：Gilles Berger、Michel Gelbcke、Emilie Cauët、Michel Luhmer、Jean Nève、François Dufrasne

  DOI：10.1016/j.tetlet.2012.11.079

  日期：2013.2

  A new method for the synthesis of N-15-labeled chiral beta-diamines from a common precursor, either optically pure amino acids or anti-beta-amino alcohols, is reported. The two diastereomeric series of vicinal diamines are produced through the nucleophilic ring opening of activated chiral aziridines. N-15 was introduced by means of [N-15]-benzylamine, prepared from (NH4Cl)-N-15. The final compounds are highly valuable because [H-1-N-15] NMR is considered a powerful tool for studying the chemical properties of platinum-based complexes. (C) 2012 Elsevier Ltd. All rights reserved.
• TOMIE M.; SUGIMOTO H.; YONEDA N., CHEM. AND PHARM. BULL. <CPBT-AL>, 1976, 24, NO 5, 1033-1039
  作者：TOMIE M.、 SUGIMOTO H.、 YONEDA N.

  DOI：——

  日期：——