N-Methyl-1,1-dichloracetamidin | 98025-48-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-Methyl-1,1-dichloracetamidin
• 英文别名: 2,2-dichloro-N'-methylethanimidamide
• CAS: 98025-48-0
• 化学式: C₃H₆Cl₂N₂
• mdl: MFCD19219605
• 分子量: 141.0
• InChiKey: LUYJVZPYNOOFFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二氯乙腈 、 甲胺 以 水 为溶剂， 生成 N-Methyl-1,1-dichloracetamidin
  参考文献：
  名称：

  FURTHER STUDIES ON THE REACTION BETWEEN HALOGEN-SUBSTITUTED NITRILES AND AMINES

  摘要：

  卤素取代腈和胺的反应范围得到扩展，包括三氟乙腈和二氯乙腈。三氟乙腈与一次和二次脂肪族、一次芳香族和杂环胺容易发生反应，形成相应的酰胺。二氯乙腈和胺制备了N-单取代和N-双取代的二氯乙酰胺基。三氯乙腈也能与杂环胺生成N-取代酰胺。

  DOI：

  10.1139/v61-092

文献信息

• FURTHER STUDIES ON THE REACTION BETWEEN HALOGEN-SUBSTITUTED NITRILES AND AMINES
  作者：John C. Grivas、Alfred Taurins

  DOI：10.1139/v61-092

  日期：1961.4.1

  The scope of the reaction of halogen-substituted nitriles and amines was extended by including trifluoro- and dichloro-acetonitrile. Trifluoroacetonitrile reacts easily with primary and secondary aliphatic, primary aromatic, and heterocyclic amines to give the corresponding amidines. N-Mono- and N-di-substituted dichloroacetamidines were prepared from dichloro-acetonitrile and amines, Trichloroacetonitrile also affords N-substituted amidines with heterocyclic amines.

  卤素取代腈和胺的反应范围得到扩展，包括三氟乙腈和二氯乙腈。三氟乙腈与一次和二次脂肪族、一次芳香族和杂环胺容易发生反应，形成相应的酰胺。二氯乙腈和胺制备了N-单取代和N-双取代的二氯乙酰胺基。三氯乙腈也能与杂环胺生成N-取代酰胺。
• Trichloroacetamidines, a new class of positive inotropic agents
  作者：Walfred S. Saari、Mark B. Freedman、Joel R. Huff、Stella W. King、Andrew W. Raab、Susan J. Bergstrand、Edward L. Engelhardt、Alexander Scriabine、George Morgan

  DOI：10.1021/jm00210a021

  日期：1978.12

  A series of trichloroacetamidine derivatives, obtained by addition of amines to trichloroacetonitrile, was evaluated for positive inotropic activity on isolated cat heart papillary muscles. Increased contractility, not antagonized by beta-adrenergic blockade with sotalol or reserpine pretreatment, was observed in this assay with a variety of N-substituted trichloroacetamidine derivatives. More extensive pharmacological studies with the 3-indolylmethyl analogue 2 showed that this amidine in dogs, 5 mg/kg iv, produced a positive inotropic effect more pronounced than that of ouabain, 50 microgram/kg iv. Several of the trichloroacetamidines were found to be inhibitors of guinea pig kidney and calf heart Na-K-dependent ATPase and to have specificity for these enzymes different from that of ouabain. Bacterial mutagenic activity was observed with three members, 2,3, and 12, of the series.