Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]heptanedithioate | 140869-63-2

• 分子结构分类: 有机化合物
• 英文名称: Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]heptanedithioate
• CAS: 140869-63-2
• 化学式: C₁₈H₃₄N₂O₄S₂
• 分子量: 406.611
• InChiKey: NAYMUIGZEPHZEZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甘氨酸乙酯盐酸盐 、 Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]heptanedithioate 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 30.0h， 以69%的产率得到di-tert-butyl 1-(1-((2-ethoxy-2-oxoethyl)amino)-1-thioxoheptan-2-yl)hydrazine-1,2-dicarboxylate
  参考文献：
  名称：

  Mono S-trimethylsilyl ketene dithioacetals as versatile tools for the synthesis of α-hydrazinodithioesters. A novel access to endothiopeptides.

  摘要：

  Mono-S-trimethylsilylketene dithioacetals have been prepared from dithioesters by the action of trimethylsilyl iodide formed in situ. They were reacted easily with dialkylazodicarboxylates to give good yields of alpha-hydrazinodithioesters. The latter were transformed into thioamides or endothiodipeptides by aminolysis either with an amine or an amino acid.

  DOI：

  10.1016/s0040-4039(00)91580-6
• 作为产物：
  描述：

  heptanedithioate de methyle 在 溶剂黄146 、 三乙胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]heptanedithioate
  参考文献：
  名称：

  Mono S-trimethylsilyl ketene dithioacetals as versatile tools for the synthesis of α-hydrazinodithioesters. A novel access to endothiopeptides.

  摘要：

  Mono-S-trimethylsilylketene dithioacetals have been prepared from dithioesters by the action of trimethylsilyl iodide formed in situ. They were reacted easily with dialkylazodicarboxylates to give good yields of alpha-hydrazinodithioesters. The latter were transformed into thioamides or endothiodipeptides by aminolysis either with an amine or an amino acid.

  DOI：

  10.1016/s0040-4039(00)91580-6