methyl 2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclohexene-1-carboxylate | 1051922-98-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclohexene-1-carboxylate
• CAS: 1051922-98-5
• 化学式: C₂₂H₂₉ClN₂O₅
• 分子量: 436.936
• InChiKey: GKKDFSPYPFGEQO-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate 、 tert-butyl (S)-(1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl)carbamate 在 tris(dibenzylideneacetone)dipalladium (0) 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以90%的产率得到methyl 2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclohexene-1-carboxylate
  参考文献：
  名称：

  The synthesis and conformational analysis of amino acid–tetrahydroanthranilic acid hybrids

  摘要：

  The optimization of a palladium-catalyzed amidation reaction providing a new class of amino acid-tetrahydroanthranilic acid derivatives has been achieved. The scope of the reaction and preliminary conformational analysis of the resulting series of molecules is discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.148

文献信息

• The synthesis and conformational analysis of amino acid–tetrahydroanthranilic acid hybrids
  作者：Jason E. Imbriglio、Daniel DiRocco、Subharekha Raghavan、Richard G. Ball、Nancy Tsou、Ralph T. Mosley、James R. Tata、Steven L. Colletti

  DOI：10.1016/j.tetlet.2008.05.148

  日期：2008.8

  The optimization of a palladium-catalyzed amidation reaction providing a new class of amino acid-tetrahydroanthranilic acid derivatives has been achieved. The scope of the reaction and preliminary conformational analysis of the resulting series of molecules is discussed. (C) 2008 Elsevier Ltd. All rights reserved.