3-(4-chloro-anilino)-butyric acid-(4-chloro-anilide) | 2567-07-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(4-chloro-anilino)-butyric acid-(4-chloro-anilide)
• 英文别名: 3-(4-Chlor-anilino)-buttersaeure-(4-chlor-anilid)；3-<4-Chlor-anilino>-buttersaeure-<4-chlor-anilid>；3-(4-chloroanilino)-N-(4-chlorophenyl)butanamide
• CAS: 2567-07-9
• 化学式: C₁₆H₁₆Cl₂N₂O
• 分子量: 323.222
• InChiKey: IQZMXSROGJRODA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(2-丁烯酰基)-1H-苯并三唑 、 对氯苯胺 在 samarium (III) iodide 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以77%的产率得到3-(4-chloro-anilino)-butyric acid-(4-chloro-anilide)
  参考文献：
  名称：

  SmI₃-Catalyzed Addition of Amines toα,β-UnsaturatedN-Acylbenzotriazoles

  摘要：

  The addition of amines to ,-unsaturated N-acylbenzotriazoles could be catalyzed by samarium triiodide (SmI3) at ambient temperature. ,-Unsaturated aliphatic N-acylbenzotriazoles afforded bis-addition products (-amino amides), whereas N-cinnamoylbenzotriazoles gave acylated products (cinnamoylamides) exclusively.

  DOI：

  10.1080/00397910802431180

文献信息

• Zil'berman,E.N.; Michurin,A.A., Journal of Organic Chemistry USSR (English Translation), 1965, vol. 1, p. 707 - 710
  作者：Zil'berman,E.N.、Michurin,A.A.

  DOI：——

  日期：——
• Further Study of the Synthesis of 4-Hydroxyquinolines from β-Anilinopropionic and Butyric Acids
  作者：Robert C. Elderfield、Allison. Maggiolo

  DOI：10.1021/ja01174a002

  日期：1949.6
• SmI₃-Catalyzed Addition of Amines to<font>α</font>,<font>β</font>-Unsaturated<i>N</i>-Acylbenzotriazoles
  作者：Xiaoxia Wang、Liang He、Zhifang Li、Wencun Wang、Junhua Liu

  DOI：10.1080/00397910802431180

  日期：2009.2.9

  The addition of amines to ,-unsaturated N-acylbenzotriazoles could be catalyzed by samarium triiodide (SmI3) at ambient temperature. ,-Unsaturated aliphatic N-acylbenzotriazoles afforded bis-addition products (-amino amides), whereas N-cinnamoylbenzotriazoles gave acylated products (cinnamoylamides) exclusively.