1,5-dimethyl-3-phenyl-1H-[1,2,4]triazin-6-one | 69991-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1,5-dimethyl-3-phenyl-1H-[1,2,4]triazin-6-one
• 英文别名: 1,5-Dimethyl-3-phenyl-1,2,4-triazin-6-one
• CAS: 69991-86-2
• 化学式: C₁₁H₁₁N₃O
• 分子量: 201.228
• InChiKey: HDBISDGVTWPAFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-phenyl-5-(S)-methyl-4,5-dihydro-1,2,4-triazin-6-(1H)-one 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以7%的产率得到5-methyl-3-phenyl-1H-[1,2,4]triazin-6-one
  参考文献：
  名称：

  Regioselective alkylations of optically active 4,5-dihydro-1,2,4-triazin-6(1H)-ones

  摘要：

  Regiocontrolled alkylations of chiral 4,5-dihydrotriazin-6-ones using sodium hydride in DMF are reported. By this approach different N1-alkyl, N1,N4-dialkyl and N4-alkyl dihydrotriazinones could be obtained in good yields with conservation of their optical activity. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02162-0

文献信息

• Regioselective alkylations of optically active 4,5-dihydro-1,2,4-triazin-6(1H)-ones
  作者：Laurent Sanière、Martine Schmitt、Jean-Jacques Bourguignon

  DOI：10.1016/s0040-4039(99)02162-0

  日期：2000.1

  Regiocontrolled alkylations of chiral 4,5-dihydrotriazin-6-ones using sodium hydride in DMF are reported. By this approach different N1-alkyl, N1,N4-dialkyl and N4-alkyl dihydrotriazinones could be obtained in good yields with conservation of their optical activity. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.