2-((2-氨基苯基)氨基)苯甲腈 | 1038312-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-((2-氨基苯基)氨基)苯甲腈
• 英文名称: 2-((2-aminophenyl)amino)benzonitrile
• 英文别名: N-(2-cyanophenyl)-1,2-phenylenediamine；2-(2-Aminoanilino)benzonitrile
• CAS: 1038312-95-6
• 化学式: C₁₃H₁₁N₃
• mdl: MFCD11201916
• 分子量: 209.25
• InChiKey: HMZFHBCAMUURKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-((2-氨基苯基)氨基)苯甲腈 、 甲基4-氨基-1,2,5-恶二唑-3-甲亚氨酸酯 以 溶剂黄146 为溶剂， 反应 0.25h， 生成 2-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)benzonitrile
  参考文献：
  名称：

  4-(Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: Potent and selective p70S6 kinase inhibitors

  摘要：

  We report herein the design and synthesis of 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine derivatives as inhibitors of p70S6 kinase. Screening hits containing the 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine scaffold were optimized for p70S6K potency and selectivity against related kinases. Structure-based design employing an active site homology model derived from PKA led to the preparation of benzimidazole 5-substituted compounds 26 and 27 as highly potent inhibitors (K-i < 1 nM) of p70S6K, with > 100-fold selectivity against PKA, ROCK and GSK3. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.022
• 作为产物：
  描述：

  2-((2-nitrophenyl)amino)benzonitrile 在 10% palladium on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-((2-氨基苯基)氨基)苯甲腈
  参考文献：
  名称：

  4-(Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: Potent and selective p70S6 kinase inhibitors

  摘要：

  We report herein the design and synthesis of 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine derivatives as inhibitors of p70S6 kinase. Screening hits containing the 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine scaffold were optimized for p70S6K potency and selectivity against related kinases. Structure-based design employing an active site homology model derived from PKA led to the preparation of benzimidazole 5-substituted compounds 26 and 27 as highly potent inhibitors (K-i < 1 nM) of p70S6K, with > 100-fold selectivity against PKA, ROCK and GSK3. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.022

文献信息

• Synthesis of quinazolinimines and quinazolinamines from 2-fluorobenzonitriles under catalyst-free conditions
  作者：Jian-Bo Feng、Xiao-Feng Wu

  DOI：10.1039/c5ob01587a

  日期：——

  A convenient procedure for the synthesis of quinazolinimines and quinazolinamines from 2-fluorobenzonitriles and 2-aminopyridines or amidines with KO^tBu as the promotor has been developed.

  已开发出一种从2-氟苯甲腈和2-氨基吡啶或酰胺与KO^tBu作为催化剂合成喹唑啉胺和喹唑啉胺的便捷程序。
• 一种1,3,5-三嗪类化合物、组合物及其应用
  申请人：吉林省元合电子材料有限公司

  公开号：CN111747937B

  公开（公告）日：2022-01-14

  本发明公开了一种1,3,5‑三嗪类化合物、组合物及其应用。本发明提供了一种有机电致发光组合物，其包括电子给体材料和如下式I所示的1,3,5‑三嗪类化合物。采用含本发明的1,3,5‑三嗪类化合物的有机电致发光组合物可作为电致发光器件的主体材料，由此制备得到的电致发光器件具有较高效率、较长寿命等优点；进一步地由该1,3,5‑三嗪类化合物同时作为电子传输层，制备得到的有机电致发光器件具有更优的高效率、更长的寿命等优点。
• [EN] 1,3,5-TRIAZINE COMPOUND AND COMPOSITION, AND APPLICATION THEREOF<br/>[FR] COMPOSÉ DE 1,3,5-TRIAZINE, COMPOSITION ET UTILISATION ASSOCIÉES<br/>[ZH] 一种1,3,5-三嗪类化合物、组合物及其应用
  申请人：JILIN YUANHE ELECTRONIC MAT CO LTD

  公开号：WO2020199998A1

  公开（公告）日：2020-10-08

  本发明公开了一种1，3，5-三嗪类化合物、组合物及其应用。本发明提供了一种有机电致发光组合物，其包括电子给体材料和如下式I所示的1，3，5-三嗪类化合物。采用含本发明的1，3，5-三嗪类化合物的有机电致发光组合物可作为电致发光器件的主体材料，由此制备得到的电致发光器件具有较高效率、较长寿命等优点；进一步地由该1，3，5-三嗪类化合物同时作为电子传输层，制备得到的有机电致发光器件具有更优的高效率、更长的寿命等优点。
• Bifunctional solid catalysts for chemoselective hydrogenation–cyclisation–amination cascade reactions of relevance for the synthesis of pharmaceuticals
  作者：Antonio Leyva-Pérez、Jose R. Cabrero-Antonino、Avelino Corma

  DOI：10.1016/j.tet.2010.08.022

  日期：2010.10

  The benzodiazepines olanzapine and clozapine are nowadays manufactured by a three-step process with a final yield below 50%. An approach to environmentally-friendly intensive processes consists in the development of multifunctional solid catalyst able to catalyze multistep reactions. Here, a bifunctional metal-acid solid catalyst has been prepared and is able to carry out hydrogenation-cyclisation-amination reactions in a cascade process. The catalytic system is illustrated for the synthesis of these important antipsychotics, being an alternative for the current industrial process that requires three steps batch reactions, using mineral acids and bases, and stoichiometric amounts of SnCl2. (C) 2010 Elsevier Ltd. All rights reserved.
• 4-(Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: Potent and selective p70S6 kinase inhibitors
  作者：Upul Bandarage、Brian Hare、Jonathan Parsons、Ly Pham、Craig Marhefka、Guy Bemis、Qing Tang、Cameron Stuver Moody、Steve Rodems、Sundeep Shah、Chris Adams、Jose Bravo、Emmanuelle Charonnet、Vladimir Savic、Jon H. Come、Jeremy Green

  DOI：10.1016/j.bmcl.2009.07.022

  日期：2009.9

  We report herein the design and synthesis of 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine derivatives as inhibitors of p70S6 kinase. Screening hits containing the 4-(benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine scaffold were optimized for p70S6K potency and selectivity against related kinases. Structure-based design employing an active site homology model derived from PKA led to the preparation of benzimidazole 5-substituted compounds 26 and 27 as highly potent inhibitors (K-i < 1 nM) of p70S6K, with > 100-fold selectivity against PKA, ROCK and GSK3. (C) 2009 Elsevier Ltd. All rights reserved.