2-Chloro-4,6-bis-((E)-hept-1-enyl)-pyrimidine

• 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: 2-Chloro-4,6-bis-((E)-hept-1-enyl)-pyrimidine
• 英文别名: 2-chloro-4,6-bis[(E)-hept-1-enyl]pyrimidine
• 化学式: C₁₈H₂₇ClN₂
• 分子量: 306.879
• InChiKey: BLPZHDXYLMZIHG-PHEQNACWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  21
• 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：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4,6-三氯嘧啶 、 E-庚烯-1-基硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium phosphate 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以57%的产率得到2-Chloro-4,6-bis-((E)-hept-1-enyl)-pyrimidine
  参考文献：
  名称：

  The Facile Route to Stereodefined Alkenyl‐Substituted Pyrimidines

  摘要：

  The Suzuki-Miyaura type cross-coupling reactions of various chloropyrimidines with stereodefined alkenylboronic acids giving the corresponding alkenyl-substituted pyrimidines were studied. The experiments discovered that the reaction is stereospecific and highly regioselective. In the coupling of 2,4-dichloropyrimidine and 2,4,6-trichloropyrimidine, the reaction occured at 4-position prior to 2-position.

  DOI：

  10.1081/scc-200032495

文献信息

• The Facile Route to Stereodefined Alkenyl‐Substituted Pyrimidines
  作者：Jiuqing Tan、Jianhua Chang、Minzhi Deng

  DOI：10.1081/scc-200032495

  日期：2004.1.1

  The Suzuki-Miyaura type cross-coupling reactions of various chloropyrimidines with stereodefined alkenylboronic acids giving the corresponding alkenyl-substituted pyrimidines were studied. The experiments discovered that the reaction is stereospecific and highly regioselective. In the coupling of 2,4-dichloropyrimidine and 2,4,6-trichloropyrimidine, the reaction occured at 4-position prior to 2-position.