4-甲基-2-(三氟甲基)嘧啶-5-羧酸甲酯 | 915376-16-8

• 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: 4-甲基-2-(三氟甲基)嘧啶-5-羧酸甲酯
• 英文名称: 4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester
• 英文别名: Methyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate；methyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
• CAS: 915376-16-8
• 化学式: C₈H₇F₃N₂O₂
• 分子量: 220.151
• InChiKey: UAWGOXCVYUUVHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-甲基-2-(三氟甲基)嘧啶-5-羧酸甲酯 在 sodium hydroxide 、 草酰氯 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 4-methyl-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-2-(trifluoromethyl)-5-pyrimidinecarboxamide
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034
• 作为产物：
  描述：

  2-甲氧基亚甲基-3-氧代丁酸甲酯 、 三氟乙脒 以 甲醇 为溶剂， 生成 4-甲基-2-(三氟甲基)嘧啶-5-羧酸甲酯
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034

文献信息

• Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators
  作者：George P. Lahm、Thomas P. Selby、John H. Freudenberger、Thomas M. Stevenson、Brian J. Myers、Gilles Seburyamo、Ben K. Smith、Lindsey Flexner、Christopher E. Clark、Daniel Cordova

  DOI：10.1016/j.bmcl.2005.08.034

  日期：2005.11

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.