2-甲基-2-丙基[(E)-2-乙酰氨基乙烯基]氨基甲酸酯 | 240143-59-3

• 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
• 中文名称: 2-甲基-2-丙基[(E)-2-乙酰氨基乙烯基]氨基甲酸酯
• 英文名称: trans-AcNH-CH=CH-NHBoc
• 英文别名: tert-butyl N-[(E)-2-acetamidoethenyl]carbamate
• CAS: 240143-59-3
• 化学式: C₉H₁₆N₂O₃
• 分子量: 200.238
• InChiKey: KJDZJSRDIANFJG-AATRIKPKSA-N

物化性质

• 沸点：
  329.6±38.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基[(E)-2-乙酰氨基乙烯基]氨基甲酸酯 、 3-Bromo-2-[(2-ethyl-butyryl)-hydrazono]-propionic acid ethyl ester 在 盐酸 、 sodium carbonate 作用下， 生成 (5S,6S)-5-Acetylamino-6-amino-1-(2-ethyl-butyryl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid ethyl ester 、 ethyl (3S,4S)-3-acetamido-4-amino-2-(2-ethylbutanoyl)-4,5-dihydro-3H-pyridazine-6-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors

  摘要：

  1,4,5,6-Tetrahydropyridazine derivative 15 and its C-5 epimer 19, which possessed side chains similar to GS4071, were synthesized via a hetero Diels-Alder reaction, and evaluated as influenza neuraminidase inhibitors. Compounds 15 and 19 exhibited a microM range of influenza neuraminidase inhibitory activity.

  DOI：

  10.1016/s0960-894x(99)00280-2
• 作为产物：
  描述：

  N-Boc-咪唑 在 sodium hydroxide 、 碘 、 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 2-甲基-2-丙基[(E)-2-乙酰氨基乙烯基]氨基甲酸酯
  参考文献：
  名称：

  Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors

  摘要：

  1,4,5,6-Tetrahydropyridazine derivative 15 and its C-5 epimer 19, which possessed side chains similar to GS4071, were synthesized via a hetero Diels-Alder reaction, and evaluated as influenza neuraminidase inhibitors. Compounds 15 and 19 exhibited a microM range of influenza neuraminidase inhibitory activity.

  DOI：

  10.1016/s0960-894x(99)00280-2
• 作为试剂：
  描述：

  3-Bromo-2-[(2-ethyl-butyryl)-hydrazono]-propionic acid ethyl ester 在 sodium carbonate 、 2-甲基-2-丙基[(E)-2-乙酰氨基乙烯基]氨基甲酸酯 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 (5S,6S)-6-Acetylamino-5-tert-butoxycarbonylamino-1-(2-ethyl-butyryl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid ethyl ester 、 (5S,6S)-5-Acetylamino-6-tert-butoxycarbonylamino-1-(2-ethyl-butyryl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid ethyl ester 、 (2E,6E)-1,5-Bis-(2-ethyl-butyryl)-1,4,5,8-tetrahydro-[1,2,5,6]tetrazocine-3,7-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors

  摘要：

  1,4,5,6-Tetrahydropyridazine derivative 15 and its C-5 epimer 19, which possessed side chains similar to GS4071, were synthesized via a hetero Diels-Alder reaction, and evaluated as influenza neuraminidase inhibitors. Compounds 15 and 19 exhibited a microM range of influenza neuraminidase inhibitory activity.

  DOI：

  10.1016/s0960-894x(99)00280-2