N-allyl-ethylenediamine | 40510-22-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-allyl-ethylenediamine
• 英文别名: N-2-propenyl-1,2-ethanediamine；N-allylethylenediamine；N-allyl-ethylenediamine；N-Allyl-aethylendiamin；N-allyl ethylenediamine；allylethylenediamine；Ethylenediamine, N-allyl-；N'-prop-2-enylethane-1,2-diamine
• CAS: 40510-22-3
• 化学式: C₅H₁₂N₂
• 分子量: 100.164
• InChiKey: YDLDORZAYJTSMR-UHFFFAOYSA-N

物化性质

• 沸点：
  159.0±15.0 °C(Predicted)
• 密度：
  0.844±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  7
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氟克吖啶 、 N-allyl-ethylenediamine 以 苯 为溶剂， 反应 2.0h， 以78%的产率得到7-chloro-1,3,4,10-tetrahydro-10-hydroxy-1-<<2-(2-propenylamino)ethyl>imino>-3-<4-(trifluoromethyl)phenyl>-9(2H)-acridinone
  参考文献：
  名称：

  Antimalarial drugs. 64. Synthesis and antimalarial properties of 1-imino derivatives of 7-chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and related structures

  摘要：

  To improve upon the activity and properties of the 3-aryl-7-chloro-3,4-dihydro-1,9(2H,10H)-acridinediones, a variety of 1-[(alkylamino)alkylene]imino derivatives (3) were prepared and shown to be highly active antimalarial agents in both rodents and primates. Among structural modifications prepared, including N-10-alkyl and C2-substituted analogs, removal of the C-9 oxygen, and introduction of an imino side chain at C-9, the imines of the N-10-H acridinediones were the most active compounds obtained. The [3-(NN-dimethylamino)propyl]imino derivative of 7-chloro-3-(2,4-dichlorophenyl)-3,4-dihydro-1,9(2H,10H)-acridinedione (9aa) proved to be highly active in advanced studies in primates.

  DOI：

  10.1021/jm00097a001
• 作为产物：
  描述：

  乙二胺 、 3-氯丙烯 生成 N-allyl-ethylenediamine
  参考文献：
  名称：

  N-Alkylethylenediamines

  摘要：

  DOI：

  10.1021/ja01225a054

文献信息

• Benzamides and therapeutic use thereof
  申请人：Societe d'Etudes Scientifiques et Industrielles de l'Ile-de-France

  公开号：US04703055A1

  公开（公告）日：1987-10-27

  The invention concerns novel benzamides and their pharmacologically acceptable salts which are useful as gastromotor agents and correspond to the following general formula (I): ##STR1## in which: R.sub.1 is lower alkyl, lower alkenyl or a hydrogen atom; R.sub.2 is alkyl, lower alkenyl, benzyl, cycloalkylalkyl, cycloalkenylalkyl or a hydrogen atom; R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7 and R.sub.8 each are lower alkyl or a hydrogen atom, and X is a halogen atom.

  本发明涉及新颖的苯甲酰胺及其药理学上可接受的盐，它们作为胃肠动力药有效，并且符合以下通式(I)：##STR1## 其中：R1是低级烷基，低级烯基或氢原子；R2是烷基，低级烯基，苄基，环烷基烷基，环烯基烷基或氢原子；R3，R4，R5，R6，R7和R8各自是低级烷基或氢原子，X是卤素原子。
• Boron in Disguise: The Parent “Fused” BN Indole
  作者：Eric R. Abbey、Lev N. Zakharov、Shih-Yuan Liu

  DOI：10.1021/ja205779b

  日期：2011.8.3

  "Fused" BN indoles are an emerging class of boron-containing indole mimics, featuring geometric structure and electophilic aromatic substitution reactivity similar to those of indoles but exhibiting distinct electronic structure, leading to unique optoelectronic properties. Herein we report the synthesis of the parent N-H BN indole and provide a head-to-head comparison of the structural features, pK(a) values, and optoelectronic properties of this hybrid organic/inorganic indole with the classic natural indole.

  “Fused” BN 吲哚是一类新兴的含硼吲哚类似物，其几何结构和亲电芳香取代反应活性与吲哚相似，但展现出独特的电子结构，从而导致独特的光电性质。在此，我们报告了母体N- H BN 吲哚的合成，并对这种杂化有机/无机吲哚与经典天然吲哚的结构特征、pKa值和光电性质进行了头对头比较。
• Fungicidal N-substituted ethylendiamino-dithiocarbamates which do not
  申请人：Montedison S.p.A.

  公开号：US04390705A1

  公开（公告）日：1983-06-28

  There are disclosed new fungicidally active N-substituted ethylendiamino-dithiocarbamates, in particular such dithiocarbamates which are active against Plasmopara viticola infections (B. et C.) Berl. et de Toni (Peronoapora of the vine) and against infections by other fungi that are noxious to useful agricultural cultivations. An important characteristic of the new fungicidally active dithiocarbamates of the invention is that use thereof does not result in the formation of ethylenthiourea.

  本发明揭示了新的具有杀真菌活性的N-取代乙二胺二硫代氨基甲酸盐，特别是对抗葡萄霜霉病（B. et C.）Berl. et de Toni（葡萄霜霉菌）和其他对有用农业作物有害的真菌感染具有活性的二硫代氨基甲酸盐。本发明的新杀真菌活性二硫代氨基甲酸盐的一个重要特征是，在使用过程中不会产生乙硫脲。
• Imidazoline derivatives for systemic combating of ectoparasites in host
  申请人：Hoechst Aktiengesellschaft

  公开号：US05128361A1

  公开（公告）日：1992-07-07

  The present invention relates to agents for systemic combating of ectoperasites in host animals, containing a compound of the formul I ##STR1## in which R.sup.1 denotes hydrogen, (C.sub.1 -C.sub.5)-alkyl, (C.sub.1 -C.sub.3)-halogenoalkyl or halogen; R.sup.2 and R.sup.3 independently of one another denote (c.sub.1 -C.sub.5)-alkyl, (C.sub.2 -C.sub.5)-alkenyl, (C.sub.2 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)-cycloalkyl, (C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl, halogen, cyano, nitro, (C.sub.1 -C.sub.5)-alkoxy, (C.sub.1 -C.sub.3)-alkoxy-C.sub.1 -C.sub.3)-alkyl, (C.sub.1 -C.sub.3)-halogenoalkoxy or (C.sub.1 -C.sub.3)-alkylthio, or R.sup.2 and R.sup.3 together form a polymethylene chain having 2 to 5 carbon atoms: R.sup.4 denotes hydrogen, (c.sub.1 -C.sub.10)-alkyl, (C.sub.2 -C.sub.5)-alkenyl or (C.sub.3 -C.sub.7)-cycloalkyl; R.sup.5 denotes hydrogen, (C.sub.1 -C.sub.10)-alkyl, (C.sub.3 -C.sub.5)-alkenyl, C.sub.3 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)- cycloalkyl, (C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl or (C.sub.1 -C.sub.3)-alkoxy-(C hd 1-C.sub.3)-alkyl; X denotes oxygen, sulfur or an --NR.sup.6 --group; and R.sup.6 denotes hydrogen, (C.sub.1 -C.sub.5)-alkyl, (C.sub.3 -C.sub.5)-alkenyl, C.sub.3 -C.sub.5)-alkynyl, (C.sub.3 -C.sub.7)-cycloalkyl, C.sub.3 -C.sub.7)-cycloalkenyl, (C.sub.1 -C.sub.3)-halogenoalkyl or (C.sub.1 -C.sub.3)-alkoxy-(C.sub.1 -C.sub.3)-alkyl, or biologically tolerated acid addition salts thereof. The compounds of the formulas I are novel in some cases and are likewise included in the invention.

  本发明涉及用于在宿主动物中系统性对抗外寄生虫的药剂，包含式I的化合物##STR1## 其中R1表示氢，(C1-C5)-烷基，(C1-C3)-卤代烷基或卤素；R2和R3分别独立地表示(C1-C5)-烷基，(C2-C5)-烯基，(C2-C5)-炔基，(C3-C7)-环烷基，(C3-C7)-环烯基，(C1-C3)-卤代烷基，卤素，氰基，硝基，(C1-C5)-烷氧基，(C1-C3)-烷氧基-(C1-C3)-烷基，(C1-C3)-卤代烷氧基或(C1-C3)-烷硫基，或R2和R3一起形成具有2至5个碳原子的多亚甲基链；R4表示氢，(C1-C10)-烷基，(C2-C5)-烯基或(C3-C7)-环烷基；R5表示氢，(C1-C10)-烷基，(C3-C5)-烯基，C3-C5)-炔基，(C3-C7)-环烷基，(C3-C7)-环烯基，(C1-C3)-卤代烷基或(C1-C3)-烷氧基-(C1-C3)-烷基；X表示氧，硫或--NR6--基团；R6表示氢，(C1-C5)-烷基，(C3-C5)-烯基，C3-C5)-炔基，(C3-C7)-环烷基，C3-C7)-环烯基，(C1-C3)-卤代烷基或(C1-C3)-烷氧基-(C1-C3)-烷基，或其生物耐受的酸盐。在某些情况下，式I的化合物是新颖的，并且也包含在本发明中。
• Basha, Fatima Z.; DeBernardis, John F., Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 789 - 791
  作者：Basha, Fatima Z.、DeBernardis, John F.

  DOI：——

  日期：——

表征谱图