N-decyl-β-alanine nitrile | 71708-88-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-decyl-β-alanine nitrile
• 英文别名: N-Decyl-β-alanin-nitril；3-(Decylamino)propanenitrile
• CAS: 71708-88-8
• 化学式: C₁₃H₂₆N₂
• mdl: MFCD23714260
• 分子量: 210.363
• InChiKey: XOHQKRFDBXZSNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.923
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-decyl-β-alanine nitrile 在 乙醇 、 镍 作用下， 95.0 ℃ 、1.96 MPa 条件下， 生成 N-癸基丙烷-1,3-二胺
  参考文献：
  名称：

  Sakakibara et al., Yukagaku/Journal of Japan Oil Chemists' Society, 1957, vol. 6, p. 263,265

  摘要：

  DOI：
• 作为产物：
  描述：

  1-氨基癸烷 、 丙烯腈 以 neat (no solvent, gas phase) 为溶剂， 反应 2.0h， 以98%的产率得到N-decyl-β-alanine nitrile
  参考文献：
  名称：

  一锅法无溶剂微波辅助丙烯腈氮杂迈克尔加成反应

  摘要：

  DOI：

  10.1016/j.jics.2022.100411

文献信息

• Photocatalyzed [2 + 2 + 2]-Cycloaddition of Nitriles with Acetylene:  An Effective Method for the Synthesis of 2-Pyridines under Mild Conditions
  作者：Barbara Heller、Bernd Sundermann、Helmut Buschmann、Hans-Joachim Drexler、Jingsong You、Ulrike Holzgrabe、Eberhard Heller、Günther Oehme

  DOI：10.1021/jo011032n

  日期：2002.6.1

  The photocatalyzed [2 + 2 + 2]-cycloaddition of nitriles with 2 equiv of acetylene to 2-pyridines can be carried out under mild conditions and represents a valuable extension to common synthetical methods. For the ideal wavelength range (350-500 nm), lamps as well as sunlight can be used. Working at room temperature and in organic solvents such as toluene or hexane as well as in water gives satisfying results in many cases. However, it is also possible to vary the solvent and the reaction temperature of the photocatalyzed synthesis and to choose, with respect to the specific substrate, specific requirements for this particular reaction and general requirements of the method. This simple and selective method derives its potential mainly from the large variety of applicable nitriles. Suitable substrates include (functionalized) aliphatic and aromatic nitriles as well as cyanamides derived from secondary amines.
• CAMPEAU, DENIS;GRUDA, ILONA;THIBEAULT, YVES;LEGENDRE, FRANCOIS, J. CHROMATOGR., 405,(1987) 305-310
  作者：CAMPEAU, DENIS、GRUDA, ILONA、THIBEAULT, YVES、LEGENDRE, FRANCOIS

  DOI：——

  日期：——