dihexyl (2S,7S)-3,6-diaza-4,5-dioxo-2,7-dimethyloctano-1,8-dicarboxylate | 500906-11-6

• 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: dihexyl (2S,7S)-3,6-diaza-4,5-dioxo-2,7-dimethyloctano-1,8-dicarboxylate
• 英文别名: hexyl (2S)-2-[[2-[[(2S)-1-hexoxy-1-oxopropan-2-yl]amino]-2-oxoacetyl]amino]propanoate
• CAS: 500906-11-6
• 化学式: C₂₀H₃₆N₂O₆
• 分子量: 400.516
• InChiKey: UYUDMOZSMLQLBH-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,6,9-三氧杂十一烷-1,11-二胺 、 dihexyl (2S,7S)-3,6-diaza-4,5-dioxo-2,7-dimethyloctano-1,8-dicarboxylate 以 甲醇 为溶剂， 50.0 ℃ 、999.99 MPa 条件下， 反应 24.0h， 以15%的产率得到(3S,8S)-1,4,7,10-tetraaza-3,8-dimethyl-13,16,19-trioxa-2,5,6,9-cyclohenicosatetraone
  参考文献：
  名称：

  A simple synthesis of chiral macrocyclic tetraamides derived from α-amino acids

  摘要：

  Bisamidation of oxalyl chloride using four L-alpha-amino acid esters afforded chiral diesters which were reacted with three alpha,omega-diainines under high-pressure conditions (10 kbar) to give macrocyclic tetramides of C-2-symmetry. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(02)00506-2
• 作为产物：
  描述：

  草酰氯 、 hexyl L-alaninate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以56%的产率得到dihexyl (2S,7S)-3,6-diaza-4,5-dioxo-2,7-dimethyloctano-1,8-dicarboxylate
  参考文献：
  名称：

  A simple synthesis of chiral macrocyclic tetraamides derived from α-amino acids

  摘要：

  Bisamidation of oxalyl chloride using four L-alpha-amino acid esters afforded chiral diesters which were reacted with three alpha,omega-diainines under high-pressure conditions (10 kbar) to give macrocyclic tetramides of C-2-symmetry. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(02)00506-2

文献信息

• A simple synthesis of chiral macrocyclic tetraamides derived from α-amino acids
  作者：Tomasz Zieliński、Michał Achmatowicz、Janusz Jurczak

  DOI：10.1016/s0957-4166(02)00506-2

  日期：2002.9

  Bisamidation of oxalyl chloride using four L-alpha-amino acid esters afforded chiral diesters which were reacted with three alpha,omega-diainines under high-pressure conditions (10 kbar) to give macrocyclic tetramides of C-2-symmetry. (C) 2002 Published by Elsevier Science Ltd.