2-(苄基氨基)-4-甲基嘧啶-5-羧酸乙酯 | 108123-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(苄基氨基)-4-甲基嘧啶-5-羧酸乙酯
• 英文名称: 2-benzylamino-4-methylpyrimidine-5-carboxylic acid ethyl ester
• 英文别名: 2-benzylamino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester；2-Benzylamino-4-methyl-pyrimidin-5-carbonsaeure-aethylester；Ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
• CAS: 108123-81-5
• 化学式: C₁₅H₁₇N₃O₂
• mdl: MFCD06610515
• 分子量: 271.319
• InChiKey: TZBQVZUKPBMPCA-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C(Solv: ligroine (8032-32-4))
• 沸点：
  443.2±47.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.266
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-(苄基氨基)-4-甲基嘧啶-5-羧酸乙酯 在 一水合肼 作用下， 生成 2-benzylamino-4-methyl-pyrimidine-5-carboxylic acid hydrazide
  参考文献：
  名称：

  Sirakawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 598,600

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-2-羟基嘧啶-5-羧酸乙酯 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 2-(苄基氨基)-4-甲基嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity

  摘要：

  A series of pyrimidine derivatives bearing amine substituents at C-2 position were obtained from Biginelli 3,4-dihydropyrimidin-2(1H)-ones and the effect of structural variation on anti-TB activity against Mycobacterium tuberculosis H(37)Rv strain and antiviral activity in a series of cell cultures was evaluated. While the compounds were found to possess structure dependent cytostatic activity, these were not found to be efficient inhibitors of M. tuberculosis nor did they inhibit a broad variety of DNA or RNA viruses in cell culture. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.010

文献信息

• Sirakawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1487,1491
  作者：Sirakawa

  DOI：——

  日期：——
• Chi; Wu, Huaxue Xuebao/Acta Chimica Sinica, 1957, vol. 23, p. 145,150
  作者：Chi、Wu

  DOI：——

  日期：——
• Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity
  作者：Kamaljit Singh、Kawaljit Singh、Baojie Wan、Scott Franzblau、Kelly Chibale、Jan Balzarini

  DOI：10.1016/j.ejmech.2011.03.010

  日期：2011.6

  A series of pyrimidine derivatives bearing amine substituents at C-2 position were obtained from Biginelli 3,4-dihydropyrimidin-2(1H)-ones and the effect of structural variation on anti-TB activity against Mycobacterium tuberculosis H(37)Rv strain and antiviral activity in a series of cell cultures was evaluated. While the compounds were found to possess structure dependent cytostatic activity, these were not found to be efficient inhibitors of M. tuberculosis nor did they inhibit a broad variety of DNA or RNA viruses in cell culture. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Sirakawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 598,600
  作者：Sirakawa et al.

  DOI：——

  日期：——