N¹,N¹-Diethyl-N²-(p-chlorphenyl)-chlorformamidin | 43013-74-7

• 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: N¹,N¹-Diethyl-N²-(p-chlorphenyl)-chlorformamidin
• 英文别名: N'-(4-chlorophenyl)-N,N-diethylcarbamimidoyl chloride
• CAS: 43013-74-7
• 化学式: C₁₁H₁₄Cl₂N₂
• 分子量: 245.152
• InChiKey: HVERUIMZIGMCBT-UHFFFAOYSA-N

物化性质

• 沸点：
  318.6±44.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N¹,N¹-Diethyl-N²-(p-chlorphenyl)-chlorformamidin 、 二甲基氢胺 在 盐酸 、 四氯化钛 作用下， 生成 6-chloro-2-N,N-diethylamino-4-N,N-dimethylamino-quinazoline hydrochloride
  参考文献：
  名称：

  Synthesis of 2,4-Diaminoquinazoline Derivatives

  摘要：

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.

  DOI：

  10.3987/com-97-8038
• 作为产物：
  描述：

  N,N-diethyl-N'-(4-chlorophenyl)urea 在 五氯化磷 作用下， 以 苯 为溶剂， 生成 N¹,N¹-Diethyl-N²-(p-chlorphenyl)-chlorformamidin
  参考文献：
  名称：

  Synthesis of 2,4-Diaminoquinazoline Derivatives

  摘要：

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.

  DOI：

  10.3987/com-97-8038

文献信息

• Synthesis of 2,4-Diaminoquinazoline Derivatives
  作者：Wojciech Zielinski、Agnieszka Kudelko、Elizabeth M. Holt

  DOI：10.3987/com-97-8038

  日期：——

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.