(R)-2-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-aziridine-1-carboxylic acid benzyl ester | 913368-00-0

• 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: (R)-2-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-aziridine-1-carboxylic acid benzyl ester
• 英文别名: benzyl (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]aziridine-1-carboxylate
• CAS: 913368-00-0
• 化学式: C₂₃H₂₈N₂O₄
• 分子量: 396.486
• InChiKey: MFXKEISKMKDIHU-KYWQPSMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-2-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-aziridine-1-carboxylic acid benzyl ester 在 盐酸 、 4-二甲氨基吡啶 、 三丁基膦 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 生成 {(1R,2S)-2-(3-Dipropylcarbamoyl-benzoylamino)-1-[(3-methoxy-benzylamino)-methyl]-3-phenyl-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  Stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres

  摘要：

  A stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres 10 and 14 is described. The synthetic approach was designed to allow the introduction of functionality at the central core of the inhibitors, which should enable the identification of small molecule inhibitors of diverse aspartyl protease targets. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.084
• 作为产物：
  描述：

  (1S)-1-(2R)-环氧乙基-2-苯乙基氨基甲酸叔丁酯 在 sodium azide 、 氯化铵 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 (R)-2-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-aziridine-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  Stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres

  摘要：

  A stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres 10 and 14 is described. The synthetic approach was designed to allow the introduction of functionality at the central core of the inhibitors, which should enable the identification of small molecule inhibitors of diverse aspartyl protease targets. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.084

文献信息

• Stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres
  作者：Alicia Torrado

  DOI：10.1016/j.tetlet.2006.07.084

  日期：2006.9

  A stereoselective synthesis of aminoethylamine aspartyl protease transition state isosteres 10 and 14 is described. The synthetic approach was designed to allow the introduction of functionality at the central core of the inhibitors, which should enable the identification of small molecule inhibitors of diverse aspartyl protease targets. (c) 2006 Elsevier Ltd. All rights reserved.