N-Ethyl (Z)-3-iodopropenamide | 137627-63-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: N-Ethyl (Z)-3-iodopropenamide
• 英文别名: (Z)-N-ethyl-3-iodoprop-2-enamide
• CAS: 137627-63-5
• 化学式: C₅H₈INO
• 分子量: 225.029
• InChiKey: IVTIJWSZTBKLAO-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 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：
  0.4
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  N-乙基丙炔酰胺 在 溶剂黄146 、 lithium iodide 作用下， 反应 24.0h， 以91%的产率得到N-Ethyl (Z)-3-iodopropenamide
  参考文献：
  名称：

  A novel regio- and stereospecific hydrohalogenation reaction of 2-propynoic acid and its derivatives

  摘要：

  2-Propynoic acid and its derivatives are hydrohalogenated regio- and stereospecifically by reaction with lithium halides in acetic acid, or preferably with 1 equiv of acetic acid in refluxing CH3CN, to afford the thermodynamically unfavorable (Z)-3-halopropenoic acids and their derivatives as sole products. A rationale for the regio- and stereospecificity is briefly discussed.

  DOI：

  10.1021/jo00028a055

文献信息

• Wojcik, Jacek; Stefaniak, Lech; Witanowski, Michal, Bulletin of the Polish Academy of Sciences: Chemistry, 1984, vol. 32, # 1-2, p. 85 - 95
  作者：Wojcik, Jacek、Stefaniak, Lech、Witanowski, Michal、Webb, Graham A.

  DOI：——

  日期：——
• WOJCIK, J.;STEFANIAK, L.;WITANOWSKI, M.;WEBB, G. A., BULL. POL. ACAD. SCI. CHEM., 1984, 32, N 1-2, 85-95
  作者：WOJCIK, J.、STEFANIAK, L.、WITANOWSKI, M.、WEBB, G. A.

  DOI：——

  日期：——
• A novel regio- and stereospecific hydrohalogenation reaction of 2-propynoic acid and its derivatives
  作者：Shengming Ma、Xiyan Lu、Zhigang Li

  DOI：10.1021/jo00028a055

  日期：1992.1

  2-Propynoic acid and its derivatives are hydrohalogenated regio- and stereospecifically by reaction with lithium halides in acetic acid, or preferably with 1 equiv of acetic acid in refluxing CH3CN, to afford the thermodynamically unfavorable (Z)-3-halopropenoic acids and their derivatives as sole products. A rationale for the regio- and stereospecificity is briefly discussed.