5-[1-(4-Methoxy-phenyl)-2-morpholin-4-yl-ethyl]-1-morpholin-4-ylmethyl-3-phenyl-1H-[1,2,4]triazin-6-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[1-(4-Methoxy-phenyl)-2-morpholin-4-yl-ethyl]-1-morpholin-4-ylmethyl-3-phenyl-1H-[1,2,4]triazin-6-one
• 英文别名: 5-[1-(4-Methoxyphenyl)-2-morpholin-4-ylethyl]-1-(morpholin-4-ylmethyl)-3-phenyl-1,2,4-triazin-6-one
• 化学式: C₂₇H₃₃N₅O₄
• 分子量: 491.59
• InChiKey: GJVAPRLYMFEGBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  79.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  劳森试剂 、 5-[1-(4-Methoxy-phenyl)-2-morpholin-4-yl-ethyl]-1-morpholin-4-ylmethyl-3-phenyl-1H-[1,2,4]triazin-6-one 以 甲苯 为溶剂， 反应 3.0h， 以70%的产率得到2,3-di-p-methoxyphenyl-5-phenyl-6H-[1,2]thiaphospholo[4,5-e][1,2,4]triazine 2-sulfide
  参考文献：
  名称：

  Synthesis and structure of [1,2]thiaphospholo[4,5-e][1,2,4]triazines

  摘要：

  The first syntheses of the novel [1,2]thiaphospholo[4,5-e][1,2,4]triazine ring system, exemplified by the derivatives 3a-c have been accomplished by the action of Lawesson's reagent on the 5-arylmethyl-1,2,4-triazin-6-ones 1a-c, their thiones 2a-c or the Mannich bases 4-6. The structure of these new thiaphospholotriazines was established mainly by NMR, and X-ray structural analysis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00830-3

文献信息

• Synthesis and structure of [1,2]thiaphospholo[4,5-e][1,2,4]triazines
  作者：Yehia A Ibrahim、Azza M Kadry、Maher R Ibrahim、J.N Lisgarten、B.S Potter、R.A Palmer

  DOI：10.1016/s0040-4020(99)00830-3

  日期：1999.11

  The first syntheses of the novel [1,2]thiaphospholo[4,5-e][1,2,4]triazine ring system, exemplified by the derivatives 3a-c have been accomplished by the action of Lawesson's reagent on the 5-arylmethyl-1,2,4-triazin-6-ones 1a-c, their thiones 2a-c or the Mannich bases 4-6. The structure of these new thiaphospholotriazines was established mainly by NMR, and X-ray structural analysis. (C) 1999 Elsevier Science Ltd. All rights reserved.