3-Benzyl-2-(chloromethyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one | 936501-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-Benzyl-2-(chloromethyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
• CAS: 936501-61-0
• 化学式: C₁₇H₁₃ClN₄O
• 分子量: 324.769
• InChiKey: AEUOIDZLAYAUPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 3-Benzyl-2-(chloromethyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 30.0h， 以80%的产率得到3-Benzyl-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
  参考文献：
  名称：

  Synthesis and antihypertensive activity of novel 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones

  摘要：

  A series of 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones have been synthesized by the cyclocondensation of 3-amino-2-benzylamino-3H-quinazolin-4-one with a variety of one-carbon donors. The starting material 3-amino-2-benzyl-amino- 3H-quinazolin-4-one was synthesized from methyl anthranilate by a novel innovative route. The title compounds were evaluated for their in vivo antihypertensive activity using spontaneously hypertensive rats (SHR). While all the test compounds exhibited significant antihypertensive activity, 3-benzyl-2-methyl-3H-[1,2,4]triazolo[5,1-b] quinazolin-9-one exhibited antihypertensive activity more than the reference standard prazocin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.007
• 作为产物：
  描述：

  2-异硫氰基苯甲酸甲酯 在 sodium hydroxide 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 57.5h， 生成 3-Benzyl-2-(chloromethyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
  参考文献：
  名称：

  Synthesis and antihypertensive activity of novel 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones

  摘要：

  A series of 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones have been synthesized by the cyclocondensation of 3-amino-2-benzylamino-3H-quinazolin-4-one with a variety of one-carbon donors. The starting material 3-amino-2-benzyl-amino- 3H-quinazolin-4-one was synthesized from methyl anthranilate by a novel innovative route. The title compounds were evaluated for their in vivo antihypertensive activity using spontaneously hypertensive rats (SHR). While all the test compounds exhibited significant antihypertensive activity, 3-benzyl-2-methyl-3H-[1,2,4]triazolo[5,1-b] quinazolin-9-one exhibited antihypertensive activity more than the reference standard prazocin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.007

文献信息

• Synthesis and antihypertensive activity of novel 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones
  作者：Veerachamy Alagarsamy、Urvishbhai S. Pathak

  DOI：10.1016/j.bmc.2007.03.007

  日期：2007.5

  A series of 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones have been synthesized by the cyclocondensation of 3-amino-2-benzylamino-3H-quinazolin-4-one with a variety of one-carbon donors. The starting material 3-amino-2-benzyl-amino- 3H-quinazolin-4-one was synthesized from methyl anthranilate by a novel innovative route. The title compounds were evaluated for their in vivo antihypertensive activity using spontaneously hypertensive rats (SHR). While all the test compounds exhibited significant antihypertensive activity, 3-benzyl-2-methyl-3H-[1,2,4]triazolo[5,1-b] quinazolin-9-one exhibited antihypertensive activity more than the reference standard prazocin. (c) 2007 Elsevier Ltd. All rights reserved.