5-ethyl 2-methyl-6-trans-styryl-4-phenyl-1,4-dihydropyrimidine-1,5-dicarboxylate | 1337541-42-0

• 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-ethyl 2-methyl-6-trans-styryl-4-phenyl-1,4-dihydropyrimidine-1,5-dicarboxylate
• CAS: 1337541-42-0
• 化学式: C₂₂H₂₂N₂O₂
• 分子量: 346.429
• InChiKey: YRIMRIUPSPFDJS-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  50.69
• 氢给体数：
  1.0
• 氢受体数：
  4.0

文献信息

• Synthesis and Substitution Reactions of 4(6)-Chlorodihydropyrimidines
  作者：Hidetsura Cho、Yoshizumi Yasui、Satoshi Kobayashi、Masahiko Yamaguchi、Eunsang Kwon、Mieko Arisawa

  DOI：10.3987/com-11-12244

  日期：——

  Chlorination of the corresponding ketones with phenylphosphonic dichloride (PhPOCl2) provided ethyl 6(4)-chloro-2-methyl-4(6)-phenyl-1,4(6)dihydropyrimidine-5-carboxylate in good yield. The cross-coupling reactions of organoboronic acids or triethylborane with 1-tert-butyl 5-ethyl 4-chloro-2-methyl-6-phenyl-1,6-dihydropyrimidine-1,5-dicarboxylate synthesized by regiospecific alkoxycarbonylation of the chlorinated dihydropyrimidine afforded 1,4(3,4)-dihydropyrimidines having a variety of functional groups at position-6(4) in good to excellent yields.