2-Butanon-N-n-butylimin | 20764-17-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Butanon-N-n-butylimin
• 英文别名: 2-Butylimino-butan；2-(n-Butylimino)-n-buten；butyl-sec-butyliden-amine；Butanon-butylimin；N-butylbutan-2-imine
• CAS: 20764-17-4
• 化学式: C₈H₁₇N
• 分子量: 127.23
• InChiKey: QZGFOTWEQJGDDX-UHFFFAOYSA-N

物化性质

• 沸点：
  166.5±9.0 °C(Predicted)
• 密度：
  0.77±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Butanon-N-n-butylimin 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 3-Ethyl-3-methyl-2-propyl-oxaziridine
  参考文献：
  名称：

  Mechanism of oxaziridine fragmentation by amines

  摘要：

  DOI：

  10.1021/jo00342a008
• 作为产物：
  描述：

  3,5-Dimethyl-3,5-diaethyl-1,2,4-trithiolan 、 正丁胺 生成 2-Butanon-N-n-butylimin
  参考文献：
  名称：

  Asinger et al., Justus Liebigs Annalen der Chemie, 1959, vol. 627, p. 195,212

  摘要：

  DOI：

文献信息

• Enamine chemistry. Part XI. Reaction of αβ-unsaturated acids and acid chlorides with imines. Synthesis of 2-oxotetrahydropyridines and 2-oxo-octahydroquinolines
  作者：P. W. Hickmott、G. Sheppard

  DOI：10.1039/j39710001358

  日期：——

  2-Oxotetrahydropyridines and 2-oxo-octahydroquinolines have been isolated from the reaction of acryloyl chloride with imines, together with the enamide and, in some cases, the amide. Crotonoyl and cinnamoyl chlorides give mixtures consisting mainly of the enamides. 2-Oxotetrahydropyridines and 2-oxo-octahydroquinolines have also been isolated from the reaction of acrylic acid with imines. The mechanisms

  从丙烯酰氯与亚胺，烯酰胺以及某些情况下的酰胺的反应中已经分离出2-氧四氢吡啶和2-氧八氢喹啉。巴豆酰氯和肉桂酰氯产生主要由烯酰胺组成的混合物。还已经从丙烯酸与亚胺的反应中分离出2-氧代四氢吡啶和2-氧代八氢喹啉。讨论了这些反应的机理。
• High-Throughput Mass Spectrometry Screening Platform for Discovering New Chemical Reactions under Uncatalyzed, Solvent-Free Experimental Conditions
  作者：Dmytro S. Kulyk、Enoch Amoah、Abraham K. Badu-Tawiah

  DOI：10.1021/acs.analchem.0c02960

  日期：2020.11.17

  A gas-phase high-throughput reaction screening platform was developed for the first time to study chemical structures of closely related functional groups and for the discovery of novel organic reaction pathways. Experiments were performed using the contained atmospheric pressure chemical ionization (APCI) source that enabled nonthermal, nonequilibrium plasma chemistry to be monitored by mass spectrometry

  首次开发了气相高通量反应筛选平台，以研究密切相关的官能团的化学结构，并发现新的有机反应途径。使用包含的大气压化学电离（APCI）来源进行了实验，该来源可以通过质谱（MS）实时监控非热，非平衡等离子体化学。这个内置的APCI MS平台可以测试一系列试剂，从而可以并行研究多个气相反应。通过将所选试剂的顶空蒸气暴露在电晕放电中，在气相色谱仪的高真空环境之外，检查了无溶剂的Borsche-Drecsel环化反应，Katritzky化学和Paal-Knorr吡咯合成。还发现了一种新的自由基介导的肼偶联反应，该反应提供了无需使用催化剂即可合成仲胺的选择性途径。通过直接捕获中间体并与相应的本体溶液和液滴相反应进行比较，探索了这些大气压气相反应的机理。
• Reaction du gem-chloro(methyl)allyllithium sur les aldimines et les cetimines: nouvelle methode de synthese d'aziridines α-ethyleniques N-substituees
  作者：B. Mauzé

  DOI：10.1016/s0022-328x(00)92670-6

  日期：1980.12

  N-substituted α-ethylenic aziridines are easily prepared by treating gem-chloro-(methyl)allyllithium with aldimines and ketimines.

  通过用醛亚胺和酮亚胺处理宝石-氯-（甲基）烯丙基锂可以容易地制备N-取代的α-烯属氮丙啶。
• Meth-Cohn, Otto; Westwood, Keith T., Journal of the Chemical Society. Perkin transactions I, 1984, # 6, p. 1173 - 1182
  作者：Meth-Cohn, Otto、Westwood, Keith T.

  DOI：——

  日期：——
• SYNTHESIS AND PHYSIOLOGICAL ACTIVITIES OF NEW ACYCLIC AMINOPHOSPHONATES
  作者：J. S. Wieczorek、R. Gancarz、K. Bielecki、E. Grzyś、J. Sarapuk

  DOI：10.1080/10426500008076535

  日期：2000.1.1

  The dependence of biological activity of 37 newly synthesized acyclic aminomethanephosphonic acid derivatives on their structure was studied. It was found that the phytotoxicity of the compounds studied depended on their hydrophobic parameters, and in a smaller extent on the electronic parameters of the substituents on nitrogen and phosphorus atoms. No phytotoxicity dependence on the steric parameters of compounds was found. Tested organism was Spirodela oligorrhiza and the parameter studied was the concentration of compounds causing 50 % growth inhibition (EC50) The test had preliminary character and permitted to eliminate the less promising compounds out of further studies.