N'-(cyanomethyl)-N,N-dimethylmethanimidamide | 134166-58-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N'-(cyanomethyl)-N,N-dimethylmethanimidamide
• 英文别名: (dimethylamino-methyleneamino)-acetonitrile
• CAS: 134166-58-8
• 化学式: C₅H₉N₃
• 分子量: 111.147
• InChiKey: NWYJIMZYZKAACO-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  39.39
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N'-(cyanomethyl)-N,N-dimethylmethanimidamide 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 N'-{Cyano-[7-fluoro-4-methyl-5-oxo-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-(2Z)-ylidene]-methyl}-N,N-dimethyl-formamidine
  参考文献：
  名称：

  The isolation and use of a benzodiazepine iminochloride for the efficient construction of flumazenil

  摘要：

  The benzodiazepine iminochloride 2 has been isolated, characterized and its reaction with a glycinate enolate synthon investigated resulting in an efficient synthesis of the imidazobenzodiazepine flumazenil. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00078-9
• 作为产物：
  描述：

  氨基乙腈盐酸盐 、 N,N-二甲基甲酰胺二甲基缩醛 反应 5.0h， 以91%的产率得到N'-(cyanomethyl)-N,N-dimethylmethanimidamide
  参考文献：
  名称：

  The isolation and use of a benzodiazepine iminochloride for the efficient construction of flumazenil

  摘要：

  The benzodiazepine iminochloride 2 has been isolated, characterized and its reaction with a glycinate enolate synthon investigated resulting in an efficient synthesis of the imidazobenzodiazepine flumazenil. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00078-9

文献信息

• Process for the manufacture of imidazodiazepine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05670640A1

  公开（公告）日：1997-09-23

  A process for the manufacture of compounds of formula ##STR1##

  制造化合物的公式为##STR1##的过程
• The isolation and use of a benzodiazepine iminochloride for the efficient construction of flumazenil
  作者：Mark Rogers-Evans、Paul Spurr、Michael Hennig

  DOI：10.1016/s0040-4039(03)00078-9

  日期：2003.3

  The benzodiazepine iminochloride 2 has been isolated, characterized and its reaction with a glycinate enolate synthon investigated resulting in an efficient synthesis of the imidazobenzodiazepine flumazenil. (C) 2003 Elsevier Science Ltd. All rights reserved.