3-((2,6-dimethylphenyl)amino)propanenitrile | 6437-71-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-((2,6-dimethylphenyl)amino)propanenitrile
• 英文别名: N-(2,6-dimethyl-phenyl)-β-alanine nitrile；N-(2,6-Dimethyl-phenyl)-β-alanin-nitril；N-(2-cyanoethyl)-2,6-dimethylaniline；3-(2,6-dimethylanilino)propanenitrile
• CAS: 6437-71-4
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: UKGHEPPJGGNWBF-UHFFFAOYSA-N

物化性质

• 沸点：
  122 °C(Press: 0.5 Torr)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  3-((2,6-dimethylphenyl)amino)propanenitrile 生成 N-(2,6-dimethyl-phenyl)-propane-1,3-diamine
  参考文献：
  名称：

  NEUSTADT, B. R.;GOLD, E. H.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-二乙氨基丙腈 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-((2,6-dimethylphenyl)amino)propanenitrile
  参考文献：
  名称：

  Bates et al., Journal of the Chemical Society, 1956, p. 388,395

  摘要：

  DOI：

文献信息

• Assessment and use of two silicon carbide multi-well plates for library synthesis and proteolytic digests using microwave heating
  作者：Lauren M. Stencel、Chad M. Kormos、Keri B. Avery、Nicholas E. Leadbeater

  DOI：10.1039/b902112d

  日期：——

  The use of two silicon carbide plates is reported for the preparation of three libraries of organic molecules using microwave heating. In addition, a preliminary study has been carried out, showing that one of the plates can also be used in a proteomics setting. Both the 24-position and 48-position plates heated evenly when irradiated with microwave energy. The 48-position plate was used to prepare a library of N-aryl functionalized β-amino esters via an aza-Michael reaction between anilines and Michael acceptors. The 24-position plate was used to prepare a library of biaryls via a Suzuki coupling methodology and a library of 1,4-dihydropyridines via a Hantzsch synthesis. The 48-position plate was also used to perform the proteolytic digestion of insulin chain B by trypsin.

  报道了使用两个碳化硅板通过微波加热制备三种有机分子库的方法。此外，还进行了初步研究，表明其中一个板材也可用于蛋白质组学环境。两个板材在微波辐射下均能均匀加热，即24位板和48位板。48位板被用于通过苯胺与迈克尔受体之间的氮迈克尔反应制备N-芳基功能化的β-氨基酯库。24位板被用于通过铃木偶联方法制备联苯库，以及通过汉奇合成制备1,4-二氢吡啶库。48位板还用于通过胰蛋白酶对胰岛素B链进行蛋白水解消化。
• N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds
  申请人：Schering Corporation

  公开号：US04267193A1

  公开（公告）日：1981-05-12

  N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto, useful as antihypertensive agents, are prepared by reaction of an N-substituted aniline with a polyfluoroacetone.

  通过将N-取代苯胺与多氟乙酮反应制备出N-取代-4-(多氟-2-羟基-2-丙基)苯胺及相关化合物，这些化合物可作为降压药。
• N-Substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds
  申请人：Schering Corporation

  公开号：US04322434A1

  公开（公告）日：1982-03-30

  N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto, useful as antihypertensive agents, are prepared by reaction of an N-substituted aniline with a polyfluoroacetone.

  N-取代-4-(聚氟-2-羟基-2-丙基)苯胺及其相关化合物，可作为降压药物使用，是通过将N-取代苯胺与聚氟丙酮反应制备而成的。
• Lanthanoids in Hydroarylaminations: Yb(III)- and Tb(III)-Catalyzed Addition of Arylamines to Activated Olefins
  作者：Rajesh Kunjanpillai、Rajagopal Rajesh、Olencheri Karimpanakkal Sandhya、Sunilkumar Puthenpurackal Narayanan

  DOI：10.1055/a-2282-7702

  日期：2024.7

  Yb(OTf)3 and Tb(OTf)3 to give the desired β-aminonitriles, β-amino sulfones, and dimethyl aspartates, respectively, in moderate to excellent yields. The reactions were carried out in toluene for Yb(OTf)3 and in t-BuOMe for Tb(OTf)3, all reactions were performed at 100 °C.

  使用 Yb(OTf) 3和 Tb(OTf) 3独立催化的芳基胺实现丙烯腈、苯基乙烯基砜和马来酸二甲酯的迈克尔型氢胺化，分别得到所需的 β-氨基腈、β-氨基砜和天冬氨酸二甲酯，中等至优异的产量。 Yb(OTf) 3 的反应在甲苯中进行， Tb(OTf) 3 的反应在t -BuOMe中进行，所有反应均在100℃下进行。
• US4267193A
  申请人：——

  公开号：US4267193A

  公开（公告）日：1981-05-12