2-[N'-[3-(dimethylamino)propyl]-N-phenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine | 1542158-77-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[N'-[3-(dimethylamino)propyl]-N-phenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
• CAS: 1542158-77-9
• 化学式: C₁₇H₃₀N₆
• 分子量: 318.465
• InChiKey: XXMKBTKFEDAVBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-phenyl-3-(3-(dimethylamino)propyl)carbodiimide 、 四甲基胍 在 sodium sulfate 作用下， 反应 0.08h， 以95%的产率得到2-[N'-[3-(dimethylamino)propyl]-N-phenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
  参考文献：
  名称：

  Synthesis of Highly Basic Hexasubstituted Biguanides by Environmentally Friendly Methods

  摘要：

  A series of hexasubstituted biguanides was synthetized employing nonconventional and environmentally friendly methods. Their properties were studied computationally (basicity) and experimentally (basicity and catalytic properties in transesterification reaction).

  DOI：

  10.1055/s-0033-1339876

文献信息

• Synthesis of Highly Basic Hexasubstituted Biguanides by Environmentally Friendly Methods
  作者：Davor Margetić、Mirjana Eckert-Maksić、Zoran Glasovac、Pavle Trošelj、Iva Jušinski

  DOI：10.1055/s-0033-1339876

  日期：——

  A series of hexasubstituted biguanides was synthetized employing nonconventional and environmentally friendly methods. Their properties were studied computationally (basicity) and experimentally (basicity and catalytic properties in transesterification reaction).