3,4,5-trimethoxyphenylbiguanide hydrochloride | 1049734-37-3

• 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: 3,4,5-trimethoxyphenylbiguanide hydrochloride
• 英文别名: 1-(Diaminomethylidene)-2-(3,4,5-trimethoxyphenyl)guanidine;hydrochloride
• CAS: 1049734-37-3
• 化学式: C₁₁H₁₇N₅O₃*ClH
• 分子量: 303.749
• InChiKey: ZRGVVXJNSPSPBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4,5-trimethoxyphenylbiguanide hydrochloride 在 sodium methylate 、 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 为溶剂， 反应 0.58h， 生成 N-(2-nitrophenyl)-6-(trifluoromethyl)-N'-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination

  摘要：

  A rapid and efficient Pd-catalyzed aryl and heteroarylamination under microwave irradiation has been developed for various tri-substituted triazines that can serve as versatile building blocks for both supramolecular and medicinal chemistry research. Particularly valuable features of this method included the short reaction time, good yield, and convenient operation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.041
• 作为产物：
  描述：

  二聚氰胺 、 3,4,5-三甲氧基苯胺 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.25h， 以89%的产率得到3,4,5-trimethoxyphenylbiguanide hydrochloride
  参考文献：
  名称：

  High yielding microwave-assisted synthesis of 2-(arylmethyl)amino-4-arylamino-6-alkyl-1,3,5-triazines

  摘要：

  An efficient and practical procedure was developed to prepare novel 2-(arylmethyl)amino-4-arylamino-6-alkyl-1,3,5-triazines, starting from dicyandiamide and the corresponding arylamines under microwave irradiation and its scope is demonstrated with a number of examples. The valuable feature of this procedure included the short reaction times, high yields, and easy operation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.042

文献信息

• High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination
  作者：Pascal Dao、Christiane Garbay、Huixiong Chen

  DOI：10.1016/j.tet.2012.03.041

  日期：2012.5

  A rapid and efficient Pd-catalyzed aryl and heteroarylamination under microwave irradiation has been developed for various tri-substituted triazines that can serve as versatile building blocks for both supramolecular and medicinal chemistry research. Particularly valuable features of this method included the short reaction time, good yield, and convenient operation. (C) 2012 Elsevier Ltd. All rights reserved.
• High yielding microwave-assisted synthesis of 2-(arylmethyl)amino-4-arylamino-6-alkyl-1,3,5-triazines
  作者：Huixiong Chen、Pascal Dao、Alice Laporte、Christiane Garbay

  DOI：10.1016/j.tetlet.2010.04.042

  日期：2010.6

  An efficient and practical procedure was developed to prepare novel 2-(arylmethyl)amino-4-arylamino-6-alkyl-1,3,5-triazines, starting from dicyandiamide and the corresponding arylamines under microwave irradiation and its scope is demonstrated with a number of examples. The valuable feature of this procedure included the short reaction times, high yields, and easy operation. (C) 2010 Elsevier Ltd. All rights reserved.