tert-butyl benzyloxy[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enyl]carbamate | 1369515-90-1

• 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: tert-butyl benzyloxy[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enyl]carbamate
• 英文别名: tert-butyl N-[2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enyl]-N-phenylmethoxycarbamate
• CAS: 1369515-90-1
• 化学式: C₂₁H₂₇N₃O₅
• 分子量: 401.462
• InChiKey: VUNQWCYKIHDMGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙二烯 、 N-(苄氧基)氨基甲酸叔丁酯 、 5-碘-1,3-的甲基尿嘧啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三(2-呋喃基)膦 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 以96%的产率得到tert-butyl benzyloxy[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enyl]carbamate
  参考文献：
  名称：

  Skeletal diversity via Pd(0) catalysed three-component cascades of allene and halides or triflates with protected hydroxylamines and formamide

  摘要：

  The reactions of allene gas (1 atm) and of 1,1-dimethylallene with a range protected hydroxylamines and formamide with aryl/heteroaryl iodides, bromides and triflates under Pd(0) catalysis lead to a skeletally diverse range of products in good yield. The cascades tolerate both electron withdrawing and electron donating substrates and 1,1-dimethylallene reacts regioselectively in all cases. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.099

文献信息

• Skeletal diversity via Pd(0) catalysed three-component cascades of allene and halides or triflates with protected hydroxylamines and formamide
  作者：Elghareeb E. Elboray、Chuanjun Gao、Ronald Grigg

  DOI：10.1016/j.tet.2012.01.099

  日期：2012.4

  The reactions of allene gas (1 atm) and of 1,1-dimethylallene with a range protected hydroxylamines and formamide with aryl/heteroaryl iodides, bromides and triflates under Pd(0) catalysis lead to a skeletally diverse range of products in good yield. The cascades tolerate both electron withdrawing and electron donating substrates and 1,1-dimethylallene reacts regioselectively in all cases. (C) 2012 Elsevier Ltd. All rights reserved.