N-(1,4-Diacetyl-5-naphthalen-1-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(1,4-Diacetyl-5-naphthalen-1-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-acetamide
• 英文别名: N-(2,4-diacetyl-3-naphthalen-1-yl-3H-1,2,4-triazol-5-yl)acetamide
• 化学式: C₁₈H₁₈N₄O₃
• 分子量: 338.366
• InChiKey: UIDQHLNWNRUPLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酸酐 、 (E)-(1-naphthyl)-1,1-diamino-2,3-diazabuta-1,3-diene 反应 1.0h， 以75%的产率得到N-(1,4-Diacetyl-5-naphthalen-1-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-acetamide
  参考文献：
  名称：

  1,4-Diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles: Ring closure products of aromatic carbaldehyde (diaminomethylene) hydrazones with acylating agents

  摘要：

  Treatment of aromatic carbaldehyde (diaminomethylene)hydrazones 1 with hot acetic anhydride or benzoyl chloride affords 1,4-diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles 2. In contrast, a new type of O,N-acetal with an 1,2,4-triazole substructure (3) is obtained from 4-pyridine-carbaldehyde (diaminomethylene)hydrazone (1i) by using a similar reaction procedure. The structures of all novel compounds were confirmed by spectroscopic data (H-1 and C-13 NMR, MS, IR); some representative compounds were also studied by X-ray analysis.

  DOI：

  10.1007/bf00807164

文献信息

• 1,4-Diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles: Ring closure products of aromatic carbaldehyde (diaminomethylene) hydrazones with acylating agents
  作者：Z. Gy�rgyde�k、W. Holzer、R. W. Kunz、A. Linden

  DOI：10.1007/bf00807164

  日期：——

  Treatment of aromatic carbaldehyde (diaminomethylene)hydrazones 1 with hot acetic anhydride or benzoyl chloride affords 1,4-diacyl-3-acylamino-5-aryl-4,5-dihydro-1H-1,2,4-triazoles 2. In contrast, a new type of O,N-acetal with an 1,2,4-triazole substructure (3) is obtained from 4-pyridine-carbaldehyde (diaminomethylene)hydrazone (1i) by using a similar reaction procedure. The structures of all novel compounds were confirmed by spectroscopic data (H-1 and C-13 NMR, MS, IR); some representative compounds were also studied by X-ray analysis.