5-Benzyloxy-6-oxo-2-phenyl-1,6-dihydro-pyrimidine-4-carboxylic acid tert-butyl ester | 749886-77-9

• 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: 5-Benzyloxy-6-oxo-2-phenyl-1,6-dihydro-pyrimidine-4-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 6-oxo-2-phenyl-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
• CAS: 749886-77-9
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: KIBQZBHOOKXQTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Benzyloxy-6-oxo-2-phenyl-1,6-dihydro-pyrimidine-4-carboxylic acid tert-butyl ester 在 盐酸 作用下， 反应 16.0h， 以100%的产率得到5,6-二羟基-2-苯基嘧啶-4-羧酸
  参考文献：
  名称：

  Highly selective synthesis of 2-substituted-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid derivatives using a novel protected dihydroxyfumarate

  摘要：

  A high yielding (50-96%) route to 2-substituted-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid derivatives has been developed using a rationally designed dihydroxyfumarate derivative. The fully unprotected pyrimidinone heterocycle was prepared in quantitative yield upon treatment with HCl. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.028
• 作为产物：
  描述：

  2-苯基甲氧基乙酸甲酯 在 sodium methylate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 24.0h， 生成 5-Benzyloxy-6-oxo-2-phenyl-1,6-dihydro-pyrimidine-4-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Highly selective synthesis of 2-substituted-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid derivatives using a novel protected dihydroxyfumarate

  摘要：

  A high yielding (50-96%) route to 2-substituted-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid derivatives has been developed using a rationally designed dihydroxyfumarate derivative. The fully unprotected pyrimidinone heterocycle was prepared in quantitative yield upon treatment with HCl. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.028