tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethyl)carbamate | 140869-74-5

• 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: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethyl)carbamate
• CAS: 140869-74-5
• 化学式: C₂₂H₃₃N₃O₄S
• 分子量: 435.588
• InChiKey: ZAURMSIIUXGOIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-phenylethanedithioate 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethyl)carbamate
  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