benzyl N-benzyl-N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate | 1370043-52-9

• 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: benzyl N-benzyl-N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
• CAS: 1370043-52-9
• 化学式: C₃₁H₄₅N₃O₅Si
• 分子量: 567.801
• InChiKey: ZZFYDMBTIODKTO-QBHOUYDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  40
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-benzyl-N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate 在 indium(III) chloride 、 乙醛肟 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 benzyl (benzyl)((2S)-2-((tert-butoxycarbonyl)amino)-4-((tertbutyldimethylsilyl)oxy)-1-cyanobutyl)carbamate 、 benzyl (benzyl)((2S)-2-((tert-butoxycarbonyl)amino)-4-((tertbutyldimethylsilyl)oxy)-1-cyanobutyl)carbamate
  参考文献：
  名称：

  Synthesis of Ureidomuraymycidine Derivatives for Structure– Activity Relationship Studies of Muraymycins

  摘要：

  One of the key constituents of the muraymycins is the 6-membered cyclic guanidine, (2S,3S)-muraymycidine (or epi-capreomycidine). In order to diversify the structure of the oligopeptide moiety of the muraymycins for thorough structure activity relationship studies, we have developed a highly stereoselective synthesis of ureidomuraymycidine derivatives with the lactone 4a.

  DOI：

  10.1021/jo300205b
• 作为产物：
  描述：

  tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate 在 2,6-二甲基吡啶 、 lithium aluminium tetrahydride 、 碳酸氢钠 、 magnesium sulfate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 benzyl N-benzyl-N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
  参考文献：
  名称：

  Synthesis of Ureidomuraymycidine Derivatives for Structure– Activity Relationship Studies of Muraymycins

  摘要：

  One of the key constituents of the muraymycins is the 6-membered cyclic guanidine, (2S,3S)-muraymycidine (or epi-capreomycidine). In order to diversify the structure of the oligopeptide moiety of the muraymycins for thorough structure activity relationship studies, we have developed a highly stereoselective synthesis of ureidomuraymycidine derivatives with the lactone 4a.

  DOI：

  10.1021/jo300205b

文献信息

• Synthesis of Ureidomuraymycidine Derivatives for Structure– Activity Relationship Studies of Muraymycins
  作者：Bilal A. Aleiwi、Christopher M. Schneider、Michio Kurosu

  DOI：10.1021/jo300205b

  日期：2012.4.20

  One of the key constituents of the muraymycins is the 6-membered cyclic guanidine, (2S,3S)-muraymycidine (or epi-capreomycidine). In order to diversify the structure of the oligopeptide moiety of the muraymycins for thorough structure activity relationship studies, we have developed a highly stereoselective synthesis of ureidomuraymycidine derivatives with the lactone 4a.