4-octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine

• 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-octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine
• 英文别名: 4-Octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine；6,6-dimethyl-2-N-[(4-methylphenyl)methyl]-4-N-octyl-1,3,5-triazinane-2,4-diimine
• 化学式: C₂₁H₃₅N₅
• 分子量: 357.542
• InChiKey: FDBPFNJGHVWGRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  60.8
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine 在 盐酸 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 以97%的产率得到1,2-dihydro-2,2-dimethyl-6-(4-methylbenzyl)amino-4-octylamino-1,3,5-triazinium chloride
  参考文献：
  名称：

  4,6-二（取代）氨基-1,2-二氢-1,3,5-三嗪的前所未有的性质：通过用质子酸的碱金属盐简单处理形成酸盐

  摘要：

  在由甲苯和水组成的双层系统中用氯化钠处理 4,6-二（取代）氨基-1,2-二氢-1,3,5-三嗪衍生物 (5) 得到其在甲苯中的盐酸盐 (6)层和水层中的氢氧化钠。类似地，用有机溶剂中的醋酸钠水溶液处理 5、8 和 9 分别导致它们相应的醋酸盐 7、12 和 13 的形成。

  DOI：

  10.1246/bcsj.20160329
• 作为产物：
  描述：

  4-octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine acetate 在 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 生成 4-octylamino-3,6-dihydro-6,6-dimethyl-2-(4'-methylbenzylamino)-1,3,5-triazine
  参考文献：
  名称：

  2,4-Diamino-1,3,5-triazine derivative

  摘要：

  公开号：

  EP1574503B1

文献信息

• Novel 2,4-diamino-1,3,5-triazine derivative
  申请人：Maeda Shirou

  公开号：US20060154928A1

  公开（公告）日：2006-07-13

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其包含以下通式（1）所表示的化合物作为活性成分，或其药学上可接受的盐。
• 2,4-diamino-1,3,5-triazine derivatives
  申请人：Hamari Chemicals, Ltd.

  公开号：US07622469B2

  公开（公告）日：2009-11-24

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其包括以下通式（1）所表示的化合物或其药学上可接受的盐作为活性成分：
• NOVEL DIHYDROTRIAZINE DERIVATIVE
  申请人：Maeda Shirou

  公开号：US20110207926A1

  公开（公告）日：2011-08-25

  A compound represented by formula (1), a tautomer thereof, or a salt of the compound or tautomer, which is useful as a bactericide/disinfectant. In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like, R 2 represents a hydrogen atom or an optionally substituted alkyl group, or alternatively R 1 and R 2 may combine together with an adjacent nitrogen atom to form an optionally substituted nitrogen-containing heterocyclic group; R 4 represents a hydrogen atom or an optionally substituted alkyl group; R 3 represents an optionally substituted alkyl group; and R 5 and R 6 each represents a hydrogen atom or a methyl group, excluding a compound wherein both R 2 and R 4 represent a hydrogen atom and a compound wherein both R 1 and R 4 represent a hydrogen atom are excluded.

  化合物以式（1）表示，其互变异构体或盐，用作杀菌剂/消毒剂。在公式中，R1表示氢原子，可选取代的烷基或类似物，R2表示氢原子或可选取代的烷基，或者R1和R2可以与相邻的氮原子结合形成可选取代的含氮杂环基团；R4表示氢原子或可选取代的烷基；R3表示可选取代的烷基；R5和R6各表示氢原子或甲基，但排除R2和R4均表示氢原子的化合物和R1和R4均表示氢原子的化合物。
• NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Hamari Chemicals Co., Ltd.

  公开号：EP1574503A1

  公开（公告）日：2005-09-14

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其活性成分包括由以下通式（1）代表的化合物： 或其药学上可接受的盐。
• AQUEOUS COMPOSITION, IN PARTICULAR FOR TREATING MUCOSA AND/OR WOUNDS
  申请人：B. Braun Melsungen AG

  公开号：US20210401848A1

  公开（公告）日：2021-12-30

  An aqueous composition includes a dihydrotriazine compound of the general formula below, where R 1 means (i) a phenyl group or phenylalkyl group, (ii) a naphthyl group or naphthylalkyl group, (iii) a heterocyclic group, heterocyclic alkyl group or heterocyclic aminoalkyl group, (iv) an alkyl group having 1 to 16 carbon atoms or (v) a cycloalkyl group or cycloalkylalkyl group, R 1 ′ means a hydrogen atom bonded to the nitrogen atom at position 1 or 3 of the dihydrotriazine ring, R 2 and R 3 each mean a hydrogen atom or a methyl group, R 4 means an alkyl group having 7 to 16 carbon atoms and the dashed line indicates that a double bond is positioned either between positions 1 and 2 or between positions 2 and 3 of the dihydrotriazine ring, or a tautomer thereof or a salt thereof and a defoamer.