2-(4-chlorophenyl)-N-(2-cyanoethyl)-3-methylbutanamide | 1224868-15-8

• 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: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-3-methylbutanamide
• CAS: 1224868-15-8
• 化学式: C₁₄H₁₇ClN₂O
• 分子量: 264.755
• InChiKey: RCLIHKZMJWWZFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  叠氮基三甲基硅烷 、 2-(4-chlorophenyl)-N-(2-cyanoethyl)-3-methylbutanamide 在 吡啶 、 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以85%的产率得到3-[5-[1-(4-Chlorophenyl)-2-methylpropyl]tetrazol-1-yl]propanenitrile
  参考文献：
  名称：

  A mild and general one-pot preparation of cyanoethyl-protected tetrazoles

  摘要：

  Described herein is a mild and general one-pot procedure for the conversion of cyanoethyl amides to cyanoethyl-protected tetrazoles with azidotrimethylsilane via the intermediacy of imidoyl chlorides generated in situ with phosphorus pentachloride. This synthetic sequence works well with sterically hindered amides and is compatible with acid sensitive functionality. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.034
• 作为产物：
  描述：

  3-氨基丙腈 、 3-甲基-2-(4-氯苯基)丁酰氯 以 二氯甲烷 为溶剂， 生成 2-(4-chlorophenyl)-N-(2-cyanoethyl)-3-methylbutanamide
  参考文献：
  名称：

  A mild and general one-pot preparation of cyanoethyl-protected tetrazoles

  摘要：

  Described herein is a mild and general one-pot procedure for the conversion of cyanoethyl amides to cyanoethyl-protected tetrazoles with azidotrimethylsilane via the intermediacy of imidoyl chlorides generated in situ with phosphorus pentachloride. This synthetic sequence works well with sterically hindered amides and is compatible with acid sensitive functionality. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.034

文献信息

• A mild and general one-pot preparation of cyanoethyl-protected tetrazoles
  作者：Lawrence J. Kennedy

  DOI：10.1016/j.tetlet.2010.02.034

  日期：2010.4

  Described herein is a mild and general one-pot procedure for the conversion of cyanoethyl amides to cyanoethyl-protected tetrazoles with azidotrimethylsilane via the intermediacy of imidoyl chlorides generated in situ with phosphorus pentachloride. This synthetic sequence works well with sterically hindered amides and is compatible with acid sensitive functionality. (C) 2010 Elsevier Ltd. All rights reserved.