ethyl 3-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamoylamino]propanoate | 1227676-84-7

• 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: ethyl 3-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamoylamino]propanoate
• CAS: 1227676-84-7
• 化学式: C₁₇H₃₃N₃O₅
• 分子量: 359.466
• InChiKey: ONJPWNIXIKDRCR-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamoylamino]propanoate 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 5.0h， 以80%的产率得到tert-butyl N-[(2S)-1-(2,6-dioxo-1,3-diazinan-1-yl)-3,3-dimethylbutan-2-yl]carbamate
  参考文献：
  名称：

  Synthesis of sterically hindered 3,5,5-trimethyl 2,6-dioxo tetrahydro pyrimidine as HCV protease inhibitors

  摘要：

  An efficient route for the synthesis of sterically hindered substituted and unsubstituted 2,6-dioxo tetra-hydropyrimidines from amine 1 is described. These analogs are active against HCV NS3 serine protease. The biological data for some of the representative examples are also reported. (C) 2009 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.129
• 作为产物：
  描述：

  乙基3-丙烯酸酯 、 [(2S)-1-氨基-3,3-二甲基-2-丁烷基](2-甲基-2-丙基)氨基甲酸 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl 3-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamoylamino]propanoate
  参考文献：
  名称：

  Synthesis of sterically hindered 3,5,5-trimethyl 2,6-dioxo tetrahydro pyrimidine as HCV protease inhibitors

  摘要：

  An efficient route for the synthesis of sterically hindered substituted and unsubstituted 2,6-dioxo tetra-hydropyrimidines from amine 1 is described. These analogs are active against HCV NS3 serine protease. The biological data for some of the representative examples are also reported. (C) 2009 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.129

文献信息

• Synthesis of sterically hindered 3,5,5-trimethyl 2,6-dioxo tetrahydro pyrimidine as HCV protease inhibitors
  作者：Latha G. Nair、Stephane Bogen、Ronald J. Doll、N.-Y. Shih、F. George Njoroge

  DOI：10.1016/j.tetlet.2009.12.129

  日期：2010.3

  An efficient route for the synthesis of sterically hindered substituted and unsubstituted 2,6-dioxo tetra-hydropyrimidines from amine 1 is described. These analogs are active against HCV NS3 serine protease. The biological data for some of the representative examples are also reported. (C) 2009 Elsevier Ltd All rights reserved.