ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxylate
• 英文别名: Ethyl 2-ethyl-5-(naphthalen-1-ylamino)triazole-4-carboxylate；ethyl 2-ethyl-5-(naphthalen-1-ylamino)triazole-4-carboxylate
• 化学式: C₁₇H₁₈N₄O₂
• 分子量: 310.356
• InChiKey: ORLOUAIRKAHSEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙醇 、 1-叠氮基萘 、 氰乙酸乙酯 在 sodium ethanolate 作用下， 反应 32.0h， 以35%的产率得到ethyl 5-amino-1-(1-naphthyl)-1,2,3-triazole-4-carboxylate
  参考文献：
  名称：

  Structural and spectral characterization of ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxyate

  摘要：

  Ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxyate, C17H18N4O2, crystallizes in the triclinic space group P (1) over bar with unit cell parameters a = 8.043(3), b = 9.410(2), c = 11.300(17) Angstrom; alpha = 110.08(3), beta = 97.77(8). gamma = 96.34(2)degrees; V = 784.5(2) Angstrom (3), Z = 2, Dx = 1.322 Mg m(-3). The structure is stabilized by an N-H . . .O hydrogen bond. The mechanism of the reaction is discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(00)00552-4

文献信息

• Structural and spectral characterization of ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxyate
  作者：Heng-Shan Dong、Bin Quan

  DOI：10.1016/s0022-2860(00)00552-4

  日期：2000.10

  Ethyl 2-ethyl-5-(1-naphthylamino)-1,2,3-triazole-4-carboxyate, C17H18N4O2, crystallizes in the triclinic space group P (1) over bar with unit cell parameters a = 8.043(3), b = 9.410(2), c = 11.300(17) Angstrom; alpha = 110.08(3), beta = 97.77(8). gamma = 96.34(2)degrees; V = 784.5(2) Angstrom (3), Z = 2, Dx = 1.322 Mg m(-3). The structure is stabilized by an N-H . . .O hydrogen bond. The mechanism of the reaction is discussed. (C) 2000 Elsevier Science B.V. All rights reserved.