4,6-diamino-1-(3-chloro-4-methoxyphenyl)-1,2-dihydro-2,2-dimethyl-s-triazine hydrochloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,6-diamino-1-(3-chloro-4-methoxyphenyl)-1,2-dihydro-2,2-dimethyl-s-triazine hydrochloride
• 英文别名: 1-(3-chloro-4-methoxyphenyl)-2,4-diamino-6,6-dimethyl-1,6-dihydro-1,3,5-triazine hydrochloride；1-(3-chloro-4-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
• 化学式: C₁₂H₁₆ClN₅O*ClH
• 分子量: 318.206
• InChiKey: ZTIQDBVDDAFVFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二聚氰胺 、 3-氯-4-甲氧基苯胺 在 盐酸 作用下， 以 乙醚 、 丙酮 、 甲苯 为溶剂， 生成 4,6-diamino-1-(3-chloro-4-methoxyphenyl)-1,2-dihydro-2,2-dimethyl-s-triazine hydrochloride
  参考文献：
  名称：

  1-substituted-2, 4-diamino-6, 6-dialkyl-1, 6-dihydro-1, 3, 5-triazines

  摘要：

  一种杀虫组合物，与农业可接受的载体混合，包含有效的杀虫剂量的1,3,5-三嗪化合物，其化学式为##STR1##其中n为0-4;R为较低烷基，或##STR2##其中V、W、X、Y和Z如本文所定义;以及使用该组合物的方法。

  公开号：

  US05565451A1

文献信息

• Combinatorial mixture synthesis and biological evaluation of dihydrophenyl triazine antifolates
  作者：Hong-Kee Lee、Wai-Keung Chui

  DOI：10.1016/s0968-0896(99)00051-6

  日期：1999.6

  The traditional 'one-pot' three component synthesis was adapted successfully for combinatorial mixtures synthesis of dihydrophenyl triazines, which are nonclassical, dihydrofolate reductase (DHFR) inhibitors. Each library was designed to comprise eight reaction mixture pots and in every pot there were three dihydrophenyl triazines. A total of three libraries were synthesized and the final number of compounds harvested was 64. The products precipitated out of the reaction mixture and could be collected easily and cleansed by washing. Solid supports and further purification processes were not required. The reactions were monitored by TLC and a HPLC method was developed to determine the number of products in each pot. All 24 pots were screened for inhibitory activity against the rat liver DHFR. Two pots showed good inhibitory activity and the products in them were individually synthesized, characterized and biologically tested again. One lead compound was identified amongst all the compounds synthesized, and would be further optimized. (C) 1999 Elsevier Science Ltd. All rights reserved.
• US5565451A
  申请人：——

  公开号：US5565451A

  公开（公告）日：1996-10-15
• 1-substituted-2, 4-diamino-6, 6-dialkyl-1, 6-dihydro-1, 3, 5-triazines
  申请人：FMC Corporation

  公开号：US05565451A1

  公开（公告）日：1996-10-15

  An insecticidal composition comprising, in admixture with an agriculturally acceptable carrier, an insecticidally effective amount of a 1,3,5-triazine compound of the formula ##STR1## where n is 0-4; and R is lower alkyl, or ##STR2## wherein V, W, X, Y, and Z are as defined herein; and methods of using this composition.

  一种杀虫组合物，与农业可接受的载体混合，包含有效的杀虫剂量的1,3,5-三嗪化合物，其化学式为##STR1##其中n为0-4;R为较低烷基，或##STR2##其中V、W、X、Y和Z如本文所定义;以及使用该组合物的方法。