3-(3,5-二氯苯胺基)丙腈 | 33149-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3,5-二氯苯胺基)丙腈
• 英文名称: β-(3,5-dichloroanilino)propionitrile
• 英文别名: Propanenitrile, 3-[(3,5-dichlorophenyl)amino]-；3-(3,5-dichloroanilino)propanenitrile
• CAS: 33149-04-1
• 化学式: C₉H₈Cl₂N₂
• mdl: MFCD00068224
• 分子量: 215.082
• InChiKey: RXZKOGABKJQIJM-UHFFFAOYSA-N

物化性质

• 沸点：
  409.8±35.0 °C(Predicted)
• 密度：
  1.351±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3,5-二氯苯胺基)丙腈 在 四磷十氧化物 、 磷酸 、 sodium hydroxide 作用下， 反应 2.5h， 生成 5,7-二氯-2,3-二氢喹啉-4-酮
  参考文献：
  名称：

  Development of an Efficient Process for 4,5,7-Trichloroquinoline, A Key Intermediate for Agrochemical Synthesis

  摘要：

  A short, simple, and industrially feasible process for the preparation of 4,5,7-trichloroquinoline, starting from 3,5-dichloroaniline and acrylonitrile, in essentially three steps, is discussed. This article presents the preparative process, including the impurity profile, of each intermediate.

  DOI：

  10.1021/op010111y
• 作为产物：
  描述：

  丙烯腈 、 3,5-二氯苯胺 在 copper(II) acetate monohydrate 作用下， 以82%的产率得到3-(3,5-二氯苯胺基)丙腈
  参考文献：
  名称：

  Development of an Efficient Process for 4,5,7-Trichloroquinoline, A Key Intermediate for Agrochemical Synthesis

  摘要：

  A short, simple, and industrially feasible process for the preparation of 4,5,7-trichloroquinoline, starting from 3,5-dichloroaniline and acrylonitrile, in essentially three steps, is discussed. This article presents the preparative process, including the impurity profile, of each intermediate.

  DOI：

  10.1021/op010111y

文献信息

• Development of an Efficient Process for 4,5,7-Trichloroquinoline, A Key Intermediate for Agrochemical Synthesis
  作者：B. Chandrasekhar、A. S. R. Prasad、S. Eswaraiah、A. Venkateswaralu

  DOI：10.1021/op010111y

  日期：2002.5.1

  A short, simple, and industrially feasible process for the preparation of 4,5,7-trichloroquinoline, starting from 3,5-dichloroaniline and acrylonitrile, in essentially three steps, is discussed. This article presents the preparative process, including the impurity profile, of each intermediate.