5-ethyl-1H-pyrazole-3-carbonyl chloride | 1352043-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-ethyl-1H-pyrazole-3-carbonyl chloride
• CAS: 1352043-30-1
• 化学式: C₆H₇ClN₂O
• 分子量: 158.587
• InChiKey: IDZVBVIXWZOIQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ethyl-1H-pyrazole-3-carbonyl chloride 、 N-methyl-3-ethyl-4-amino-1H-pyrazole-5-carboxamide 在 三乙胺 作用下， 反应 8.0h， 以53%的产率得到3-ethyl-4-(3-ethyl-1H-pyrazole-5-carboxamido)-N-methyl-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Synthesis and anti-TMV activity of novel N-(3-alkyl-1H-pyrazol-4-yl)-3-alkyl-4-substituted-1H-pyrazole-5-carboxamides

  摘要：

  In order to investigate the biological activity of novel bis-pyrazole compounds, a series of N-(3-alkyl-5-(N-methylcarbamyl)-1 H-pyrazol-4-yl)-3-alkyl-4-substituted-1H-pyrazole-5-carboxamides were designed and synthesized with ethyl 3-alkyl-1H-pyrazole-5-carboxylate 1 as starting materials. N-Methyl-3-alkyl-4-amino-1H-pyrazole-5-carboxamides 6 were obtained from 1 via 5 steps. 3-Alkyl-4-substitued-1H-pyrazole-5-carboxyl chlorides 4a, 4b, 11a, 11b, 11c or 12 were also obtained from 1 via several steps. Target compounds 7a-7g were obtained after the reaction of 6 with the above 1H-pyrazole-5-carboxyl chlorides. Preliminary bioassay showed some compounds possessing good inactivation effect against TMV (tobacco mosaic virus). Compound 7a showed higher activity superior to ningnanmycin at a concentration of 5.0 x 10(-4) g/mL and equal activity it 1.0 x 10(-4) g/mL; 7b and 7c showed equal activity to virazole both at concentrations of 5.0 x 10(-4) g/mL and 1.0 x 10(-4) g/ML. (C) 2012 De Kai Yuan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.010
• 作为产物：
  描述：

  3-Ethyl-1H-pyrazole-5-carboxylic Acid 在 氯化亚砜 作用下， 反应 4.0h， 生成 5-ethyl-1H-pyrazole-3-carbonyl chloride
  参考文献：
  名称：

  Synthesis and anti-TMV activity of novel N-(3-alkyl-1H-pyrazol-4-yl)-3-alkyl-4-substituted-1H-pyrazole-5-carboxamides

  摘要：

  In order to investigate the biological activity of novel bis-pyrazole compounds, a series of N-(3-alkyl-5-(N-methylcarbamyl)-1 H-pyrazol-4-yl)-3-alkyl-4-substituted-1H-pyrazole-5-carboxamides were designed and synthesized with ethyl 3-alkyl-1H-pyrazole-5-carboxylate 1 as starting materials. N-Methyl-3-alkyl-4-amino-1H-pyrazole-5-carboxamides 6 were obtained from 1 via 5 steps. 3-Alkyl-4-substitued-1H-pyrazole-5-carboxyl chlorides 4a, 4b, 11a, 11b, 11c or 12 were also obtained from 1 via several steps. Target compounds 7a-7g were obtained after the reaction of 6 with the above 1H-pyrazole-5-carboxyl chlorides. Preliminary bioassay showed some compounds possessing good inactivation effect against TMV (tobacco mosaic virus). Compound 7a showed higher activity superior to ningnanmycin at a concentration of 5.0 x 10(-4) g/mL and equal activity it 1.0 x 10(-4) g/mL; 7b and 7c showed equal activity to virazole both at concentrations of 5.0 x 10(-4) g/mL and 1.0 x 10(-4) g/ML. (C) 2012 De Kai Yuan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.010