N-Aethyl-β-aminopropiophenon | 38115-24-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-Aethyl-β-aminopropiophenon
• 英文别名: 3-(Ethylamino) propiophenone；3-(ethylamino)-1-phenylpropan-1-one
• CAS: 38115-24-1
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: GEVKMAOFWRFMNU-UHFFFAOYSA-N

物化性质

• 沸点：
  290.8±23.0 °C(Predicted)
• 密度：
  0.988±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-Aethyl-β-aminopropiophenon 、 乙酸酐 生成 N-ethyl-N-(3-oxo-3-phenylpropyl)acetamide
  参考文献：
  名称：

  Superelectrophilic chemistry of amino-nitriles and related substrates

  摘要：

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.038
• 作为产物：
  描述：

  3-乙胺基丙腈 、 苯 在 三氟甲磺酸 、 水 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 N-Aethyl-β-aminopropiophenon
  参考文献：
  名称：

  Superelectrophilic chemistry of amino-nitriles and related substrates

  摘要：

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.038

文献信息

• Popov, A. F.; Piskunova, Z.; Matvienko, V. N., Journal of Organic Chemistry USSR (English Translation), 1986, vol. 22, # 7, p. 1299 - 1302
  作者：Popov, A. F.、Piskunova, Z.、Matvienko, V. N.

  DOI：——

  日期：——
• Superelectrophilic chemistry of amino-nitriles and related substrates
  作者：Erum K. Raja、Douglas A. Klumpp

  DOI：10.1016/j.tet.2011.04.038

  日期：2011.6

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.