3-[allyl(2-cyanoethyl)amino]propanenitrile | 20207-02-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-[allyl(2-cyanoethyl)amino]propanenitrile
• 英文别名: N-Allyliminodipropionitril；Allyl-di-(2-cyanoethyl)-amin；3,3'-allylimino-dipropionitrile；Bis-(2-cyan-aethyl)-allyl-amin；3-[2-Cyanoethyl(prop-2-enyl)amino]propanenitrile；3-[2-cyanoethyl(prop-2-enyl)amino]propanenitrile
• CAS: 20207-02-7
• 化学式: C₉H₁₃N₃
• mdl: MFCD16301094
• 分子量: 163.222
• InChiKey: GJMQWKINNAGPHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  112 °C(Press: 0.5 Torr)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  50.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[allyl(2-cyanoethyl)amino]propanenitrile 在 氢溴酸 作用下， 生成 N-(β-Brom-propyl)-iminodipropionitril
  参考文献：
  名称：

  Voigt,B. et al., Journal fur praktische Chemie (Leipzig 1954), 1967, vol. 36, p. 280 - 286

  摘要：

  DOI：
• 作为产物：
  描述：

  双(2-氰基乙基)胺 、 3-氯丙烯 以30%的产率得到3-[allyl(2-cyanoethyl)amino]propanenitrile
  参考文献：
  名称：

  Catalytic C–N and C–H Bond Activation: ortho-Allylation of Benzoic Acids with Allyl Amines

  摘要：

  A facile insertion of ruthenium into aromatic C-H and allylic C-N bonds are the key steps in a [Ru(p-cymene)Cl-2](2)-catalyzed ortho-C-H allylation of benzoic acids. This protocol allows drawing on the large pool of allylic amines for state-of-the-art ortho-functionalizations of arenes, turning neutral amines into leaving groups. Concise syntheses of biologically active compounds provide further evidence of the synthetic potential of this methodology.

  DOI：

  10.1021/acs.orglett.8b01762

文献信息

• Convergent Synthesis of Polynitrile and/or Polyamine Dendrimers through Hydroaminomethylation and Michael Addition
  作者：Maryam Beigi、Stefan Ricken、Kai Sven Müller、Fikret Koç、Peter Eilbracht

  DOI：10.1002/ejoc.201001307

  日期：2011.3

  A general concept for a versatile convergent synthesis of polynitrile and/or polyamine dendrimers has been developed by applying Vogtle's procedure in combination with the tandem hydroformylation/reductive amination sequence, known as hydroaminomethylation. In this approach, first Vogtle's procedure is used to generate the desired dendron, which can then be attached to different types of polyfunctionalized

  通过将 Vogtle 程序与串联加氢甲酰化/还原胺化序列（称为加氢氨甲基化）相结合，开发了多腈和/或多胺树枝状聚合物的通用会聚合成的一般概念。在这种方法中，首先使用 Vogtle 的程序来生成所需的树突，然后将其连接到不同类型的多官能化核（例如，聚胺、多卤化物或聚烯烃核）以提供所需的球状结构。该方法可用作合成具有设计的壳和核特性的树枝状聚合物的一般程序，如所提供的实施例所示。
• POLYAMINE AND METHOD FOR PRODUCING THE SAME
  申请人：Rhodia Operations

  公开号：EP2522688A1

  公开（公告）日：2012-11-14

  An object of the present application is to provide novel polyamine and a method for producing thereof that has excellent safety, a lot of flexibility regarding a variety of its productions, and that can produce the polyamine of high-molecular weight easily and inexpensively. The polyamine comprises a combination of units of the general formula (1) or (2):         - (NH - (CH2)m - NH - (CH2)n) -     (1) (in the formula (1), independently in every unit, "m" indicates an integral number of 0 or more and "n" indicates an integral number of 3 or more.)         - (NH - Y - NH - Z) -     (2) (in the formula (2), independently in every unit, "Y" and "Z" are the same as or different from each other, and they indicate substituted or unsubstituted groups comprising unsaturated aliphatic, cyclic aliphatic or aromatic hydrocarbon radical that may includes hetero atoms.)

  本申请的目的是提供一种新型多胺及其生产方法，该方法具有极佳的安全性，在各种产品的生产方面具有很大的灵活性，并且可以方便而廉价地生产高分子量的多胺。 该多胺由通式（1）或（2）的单元组合而成： - (NH - (CH2)m - NH - ( )n) - (1) (在式(1)中，每个单元中的 "m "独立地表示 0 或 0 以上的整数，"n "表示 3 或 3 以上的整数)。 - (NH - Y - NH - Z) - (2) (在式(2)中，每个单元中的 "Y "和 "Z "独立地彼此相同或不同，它们表示由不饱和脂肪族、环状脂肪族或芳香族烃基组成的取代或未取代基团，其中可能包括杂原子)。
• Bodnaryuk,F.N.; Korshunov,M.A., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 2210 - 2213
  作者：Bodnaryuk,F.N.、Korshunov,M.A.

  DOI：——

  日期：——
• Beta-allylamino propionitriles
  申请人：SHELL DEV

  公开号：US02451852A1

  公开（公告）日：1948-10-19
• POLYAMINE AND METHOD FOR PRODUCING THEREOF
  申请人：Kitayama Hiroyuki

  公开号：US20130123542A1

  公开（公告）日：2013-05-16

  A method for producing a polyamine is described that provides excellent safety, a lot of flexibility regarding a variety of its productions, and that can produce a polyamine of high-molecular weight easily and inexpensively. The polyamine includes a combination of units of formula (1) or (2): —(NH—(CH 2 ) m —NH—(CH 2 ) n )—  (1) (in the formula (1), independently in every unit, “m” indicates an integral number of 0 or more and “n” indicates an integral number of 3 or more.) —(NH—Y—NH—Z)—  (2) (in the formula (2), independently in every unit, “Y” and “Z” are the same as or different from each other, and they indicate substituted or unsubstituted groups including unsaturated aliphatic, cyclic aliphatic or aromatic hydrocarbon radicals that can include hetero atoms.).