N-乙基-1,1-D2-苯胺 | 56805-03-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-乙基-1,1-D2-苯胺
• 英文名称: N-ethyl<²H2>aniline
• 英文别名: N-(<1,1-d2>ethyl)aniline；N-(ethyl-1,1-d2)aniline；N-(1,1-dideuterio-ethyl)-aniline；N-<1.1-Dideuterio-ethyl>-anilin；N-Ethyl-1,1-D2-aniline；N-(1,1-dideuterioethyl)aniline
• CAS: 56805-03-9
• 化学式: C₈H₁₁N
• 分子量: 123.166
• InChiKey: OJGMBLNIHDZDGS-CBTSVUPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-乙基-1,1-D2-苯胺 在 lithium aluminium deuteride 、 三乙胺 作用下， 以 乙醚 、 苯 为溶剂， 反应 3.0h， 生成 N,N-二乙基苯胺-D2
  参考文献：
  名称：

  Nishio, Takehiko; Okuda, Norikazu; Kashima, Choji, Journal of the Chemical Society. Perkin transactions I, 1991, # 1, p. 141 - 143

  摘要：

  DOI：
• 作为产物：
  描述：

  N-乙酰苯胺 在 lithium aluminium deuteride 作用下， 生成 N-乙基-1,1-D2-苯胺
  参考文献：
  名称：

  Unusual mass spectrometric fragmentation ofN,N′-diethyl-N,N′-diphenylurea

  摘要：

  AbstractThe electron impact mass spectrum of N,N′‐diethyl‐N,N′‐diphenylurea contains the ion m/z 164 which is of low abundance at normal energy of ionizing electrons but prominent at 15‐20eV. The mechanism of its formation has been revealed by means of labelled compounds. It is rationalized in terms of an unusual formation of styrene lost as a neutral molecule.

  DOI：

  10.1002/oms.1210170109

文献信息

• Reductive Fragmentation of Tetrazoles: Mechanistic Insights and Applications toward the Stereocontrolled Synthesis of 2,6-Polysubstituted Morpholines
  作者：Edouard Duchamp、Benoit Deschênes Simard、Stephen Hanessian

  DOI：10.1021/acs.orglett.9b01842

  日期：2019.9.6

  synthesize 2,6-di-, and 2,2',6-trisubstituted morpholines via the reduction of oxabicyclic tetrazoles under mild conditions is described. The reaction proved successful for a wide range of tetrazoles, including sterically encumbered ones harboring gem-substituents on tertiary carbon centers. The mechanism for the decades-old reduction of tetrazoles to secondary amines is elucidated.

  描述了一种在温和条件下通过还原二氧杂环四唑合成2,6-二-和2,2'，6-三取代的吗啉的新方法。事实证明，该反应可用于多种四唑，包括在叔碳中心上带有宝石取代基的空间受限四唑。阐明了将数十年来四唑还原为仲胺的机理。
• Solid phase synthesis of aryl amines
  作者：Christopher A. Willoughby、Kevin T. Chapman

  DOI：10.1016/0040-4039(96)01633-4

  日期：1996.9

  A method for the solid phase synthesis of aryl amines is reported. The method involves a palladium mediated coupling reaction between aryl bromides and amines. The products are isolated in high purity and good yields. This method should prove to be a useful tool for constructing combinatorial libraries containing the aryl amine moiety.

  报道了一种固相合成芳基胺的方法。该方法涉及芳基溴化物和胺之间的钯介导的偶联反应。以高纯度和高收率分离出产物。该方法应被证明是用于构建包含芳基胺部分的组合文库的有用工具。
• NISHIO, TAKEHIKO;OKUDA, NORIKAZU;KASHIMA, CHOJI, J. CHEM. SOC. PERKIN TRANS. PT 1,(1991) N, C. 141-143
  作者：NISHIO, TAKEHIKO、OKUDA, NORIKAZU、KASHIMA, CHOJI

  DOI：——

  日期：——
• Nishio, Takehiko; Okuda, Norikazu; Kashima, Choji, Journal of the Chemical Society. Perkin transactions I, 1991, # 1, p. 141 - 143
  作者：Nishio, Takehiko、Okuda, Norikazu、Kashima, Choji

  DOI：——

  日期：——
• Unusual mass spectrometric fragmentation ofN,N′-diethyl-N,N′-diphenylurea
  作者：V. Hanuš、Z. Horák、V. Tolman

  DOI：10.1002/oms.1210170109

  日期：1982.1

  AbstractThe electron impact mass spectrum of N,N′‐diethyl‐N,N′‐diphenylurea contains the ion m/z 164 which is of low abundance at normal energy of ionizing electrons but prominent at 15‐20eV. The mechanism of its formation has been revealed by means of labelled compounds. It is rationalized in terms of an unusual formation of styrene lost as a neutral molecule.