4-tert-butyl-6-chloro-1,3,5-triazin-2-amine | 1070217-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-tert-butyl-6-chloro-1,3,5-triazin-2-amine
• 英文别名: 1,3,5-Triazin-2-amine, 4-chloro-6-(1,1-dimethylethyl)-
• CAS: 1070217-24-1
• 化学式: C₇H₁₁ClN₄
• 分子量: 186.644
• InChiKey: XQQBZYGZRQYLBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  64.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-6-chloro-1,3,5-triazin-2-amine 在 ammonium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以49%的产率得到6-叔丁基-1,3,5-三嗪-2,4-二胺
  参考文献：
  名称：

  [EN] HERBICIDAL AZINES
  [FR] AZINES HERBICIDES

  摘要：

  本发明涉及公式（I）的二氨基三嗪化合物及其作为除草剂的用途。本发明还涉及用于作物保护的农药组合物以及一种控制不受欢迎的植被的方法，其中所有变量如权利要求书1中所定义，包括其农业上可接受的盐。

  公开号：

  WO2018166822A1
• 作为产物：
  描述：

  4-叔丁基-6-甲基硫代-1,3,5-噻嗪-2-胺 在 氯 、 溶剂黄146 作用下， 反应 1.0h， 以72%的产率得到4-tert-butyl-6-chloro-1,3,5-triazin-2-amine
  参考文献：
  名称：

  [EN] HERBICIDAL AZINES
  [FR] AZINES HERBICIDES

  摘要：

  本发明涉及公式（I）的二氨基三嗪化合物及其作为除草剂的用途。本发明还涉及用于作物保护的农药组合物以及一种控制不受欢迎的植被的方法，其中所有变量如权利要求书1中所定义，包括其农业上可接受的盐。

  公开号：

  WO2018166822A1

文献信息

• Herbicidal azines
  申请人：BASF SE

  公开号：US11388901B2

  公开（公告）日：2022-07-19

  The present invention relates to diaminotriazine compounds of the formula (1) and to their use as herbicides. The present invention also relates to agrochemical compositions for crop protection and to a method for controlling unwanted vegetation. wherein all variable as are defined in claim 1 including their agriculturally acceptable salts.

  本发明涉及式（1）的二氨基三嗪化合物及其作为除草剂的用途。本发明还涉及用于作物保护的农用化学品组合物和控制不需要的植被的方法。 其中，权利要求 1 所定义的所有变量包括其农业上可接受的盐类。
• Structure−Activity Studies on a Series of a 2-Aminopyrimidine-Containing Histamine H₄ Receptor Ligands
  作者：Robert J. Altenbach、Ronald M. Adair、Brian M. Bettencourt、Lawrence A. Black、Shannon R. Fix-Stenzel、Sujatha M. Gopalakrishnan、Gin C. Hsieh、Huaqing Liu、Kennan C. Marsh、Michael J. McPherson、Ivan Milicic、Thomas R. Miller、Timothy A. Vortherms、Usha Warrior、Jill M. Wetter、Neil Wishart、David G. Witte、Prisca Honore、Timothy A. Esbenshade、Arthur A. Hancock、Jorge D. Brioni、Marlon D. Cowart

  DOI：10.1021/jm8005959

  日期：2008.10.23

  A series of 2-aminopyrimidines was synthesized as ligands of the histamine H-4 receptor (H4R). Working in part from a pyrimidine hit that was identified in an HTS campaign, SAR studies were carried out to optimize the potency, which led to compound 3,4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine. We further studied this compound by systematically modifying the core pyrimidine moiety, the methylpiperazine at position 4, the NH2 at position 2, and positions 5 and 6 of the pyrimidine ring. The pyrimidine 6 position benefited the most from this optimization, especially in analogs in which the 6-tert-butyl was replaced with aromatic and secondary amine moieties. The highlight of the optimization campaign was compound 4, 4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile, which was potent in vitro and was active as an anti-inflammatory agent in an animal model and had antinociceptive activity in a pain model, which supports the potential of H4R antagonists in pain.
• HERBICIDAL AZINES
  申请人：BASF SE

  公开号：US20210112811A1

  公开（公告）日：2021-04-22

  The present invention relates to diaminotriazine compounds of the formula (1) and to their use as herbicides. The present invention also relates to agrochemical compositions for crop protection and to a method for controlling unwanted vegetation. wherein all variable as are defined in claim 1 including their agriculturally acceptable salts.