Dimethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyridazine-3,6-dicarboxylate | 1011300-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Dimethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyridazine-3,6-dicarboxylate
• CAS: 1011300-05-2
• 化学式: C₁₆H₂₃N₃O₆
• 分子量: 353.375
• InChiKey: NYZVACFIICOAJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl N-(4-methoxypent-4-enyl)carbamate 、 1,2,4,5-四嗪-3,6-二羧酸二甲酯 以 1,4-二氧六环 为溶剂， 反应 18.0h， 以31%的产率得到Dimethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyridazine-3,6-dicarboxylate
  参考文献：
  名称：

  Synthesis of pyridazines functionalized with amino acid side chains

  摘要：

  A simple route for the preparation of 3,4,6-substituted pyridazines is described by using Tebbe olefination of esters then Diels-Alder reaction of the resulting enol ethers with tetrazine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.149

文献信息

• ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE
  申请人：Rebek, JR. Julius

  公开号：US20100022549A1

  公开（公告）日：2010-01-28

  The synthesis of new α-helix scaffolds mimicking i, i+3 or i+4, i+7 residues, was accomplished. The common pyridazine heterocycle originates from the easily available dimethyl pyridazine-3,6-dicarboxylate building block. These scaffolds may be thought of as synthetic counterparts of amphiphilic α-helices having a hydrophilic face along one side and a hydrophobic face along the other side of the helix.

  合成了模拟i、i+3或i+4、i+7残基的新α-螺旋支架。常见的吡啶嗪杂环来自易得的二甲基吡啶嗪-3,6-二甲酸二酯基块。这些支架可以被视为具有一个疏水面和一个疏水面的两侧的两性α-螺旋的合成对应物。
• [EN] ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE<br/>[FR] MIMÉTIQUE ALPHA HÉLICOÏDAL À PYRAZINE FONCTIONNALISÉE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2010011864A2

  公开（公告）日：2010-01-28

  The synthesis of new α-helix scaffolds mimicking i, i+3 or i+4, i+7 residues, was accomplished. The common pyridazine heterocycle originates from the easily available dimethyl pyridazine-3,6-dicarboxylate building block. These scaffolds may be thought of as synthetic counterparts of amphiphilic ?-helices having a hydrophilic face along one side and a hydrophobic face along the other side of the helix.
• Synthesis of pyridazines functionalized with amino acid side chains
  作者：Enrique Mann、Lionel Moisan、Jun-Li Hou、Julius Rebek

  DOI：10.1016/j.tetlet.2007.11.149

  日期：2008.1

  A simple route for the preparation of 3,4,6-substituted pyridazines is described by using Tebbe olefination of esters then Diels-Alder reaction of the resulting enol ethers with tetrazine. (C) 2007 Elsevier Ltd. All rights reserved.