3,3'-(1,3-phenylene)bis(4H-1,2,4-triazol-5-amine) | 1338320-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,3'-(1,3-phenylene)bis(4H-1,2,4-triazol-5-amine)
• 英文别名: 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-amine
• CAS: 1338320-66-3
• 化学式: C₁₀H₁₀N₈
• 分子量: 242.243
• InChiKey: DUVJYIMGSLPKQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3'-(1,3-phenylene)bis(4H-1,2,4-triazol-5-amine) 在 盐酸 作用下， 以 甲醇 为溶剂， 以42.1%的产率得到3,3'-(1,3-phenylene)bis(4H-1,2,4-triazol-5-amine) dihydrochloride
  参考文献：
  名称：

  Synthesis of the Identical Linker Mode Twin-Drug Type C2-Symmetrical Molecules

  摘要：

  In connection with our studies on antibacterial active compounds against gram-positive (Staphylococcus aureus) and gram-negative (Escherichia colt) strains, some molecular modifications were attempted. In this study, molecular transformations of aminoguanidines and related amines to the represented C2-symmetrical molecules (Aa-b, Ba-b, and Ca-b) were investigated. In addition, some C3-symmetrical compounds (Da-b) were also prepared.

  DOI：

  10.3987/com-11-12218
• 作为产物：
  描述：

  肼甲酰亚胺酰胺一氯化氢 、 间苯二甲酰氯 生成 3,3'-(1,3-phenylene)bis(4H-1,2,4-triazol-5-amine)
  参考文献：
  名称：

  Synthesis of the Identical Linker Mode Twin-Drug Type C2-Symmetrical Molecules

  摘要：

  In connection with our studies on antibacterial active compounds against gram-positive (Staphylococcus aureus) and gram-negative (Escherichia colt) strains, some molecular modifications were attempted. In this study, molecular transformations of aminoguanidines and related amines to the represented C2-symmetrical molecules (Aa-b, Ba-b, and Ca-b) were investigated. In addition, some C3-symmetrical compounds (Da-b) were also prepared.

  DOI：

  10.3987/com-11-12218

文献信息

• US6753363B1
  申请人：——

  公开号：US6753363B1

  公开（公告）日：2004-06-22
• Synthesis of the Identical Linker Mode Twin-Drug Type C2-Symmetrical Molecules
  作者：Kunihiro Sumoto、Fumiko Fujisaki、Haruka Usami、Saya Nakashima、Shiomi Iwashita、Yurie Kurose、Nobuhiro Kashige、Fumio Miake

  DOI：10.3987/com-11-12218

  日期：——

  In connection with our studies on antibacterial active compounds against gram-positive (Staphylococcus aureus) and gram-negative (Escherichia colt) strains, some molecular modifications were attempted. In this study, molecular transformations of aminoguanidines and related amines to the represented C2-symmetrical molecules (Aa-b, Ba-b, and Ca-b) were investigated. In addition, some C3-symmetrical compounds (Da-b) were also prepared.