4-((diisopropylamino)methyl)benzonitrile | 1226917-11-8

• 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: 4-((diisopropylamino)methyl)benzonitrile
• 英文别名: 4-[[di(propan-2-yl)amino]methyl]benzonitrile
• CAS: 1226917-11-8
• 化学式: C₁₄H₂₀N₂
• 分子量: 216.326
• InChiKey: JJCKXWKFHMELOC-UHFFFAOYSA-N

物化性质

• 沸点：
  303.8±25.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-((diisopropylamino)methyl)benzonitrile 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以107 mg的产率得到C₁₄H₂₀N₂*ClH
  参考文献：
  名称：

  Hydroboration of nitriles, esters, and amides catalyzed by simple neosilyllithium

  摘要：

  DOI：

  10.1016/j.poly.2022.115784
• 作为产物：
  描述：

  4-cyano-N,N-diisopropylbenzamide 在 trimethylsilylmethyllithium 、 频那醇硼烷 作用下， 以 neat (no solvent) 为溶剂， 反应 12.0h， 生成 4-((diisopropylamino)methyl)benzonitrile
  参考文献：
  名称：

  Hydroboration of nitriles, esters, and amides catalyzed by simple neosilyllithium

  摘要：

  DOI：

  10.1016/j.poly.2022.115784

文献信息

• HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20110301122A1

  公开（公告）日：2011-12-08

  The present application relates to novel substituted aryl compounds, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及新型取代芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。
• Aryl compounds with aminoalkyl substituents and their use
  申请人：Härter Michael

  公开号：US20110312930A1

  公开（公告）日：2011-12-22

  The present application relates to novel aryl compounds with aminoalkyl substituents, to processes for their preparation, to their use for treatment and/or prevention of diseases and to their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有氨基烷基取代基的新型芳基化合物，涉及其制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应低氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。
• HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20130196964A1

  公开（公告）日：2013-08-01

  The present application relates to novel aryl compounds with heterocyclic substituents, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有杂环取代基的新型芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步治疗措施结合使用。
• Late-Stage <i>N</i>-Me Selective Arylation of Trialkylamines Enabled by Ni/Photoredox Dual Catalysis
  作者：Yangyang Shen、Tomislav Rovis

  DOI：10.1021/jacs.1c08157

  日期：2021.10.13

  The diversity and wide availability of trialkylamines render them ideal sources for rapid construction of complex amine architectures. Herein, we report that a nickel/photoredox dual catalysis strategy affects site-selective α-arylation of various trialkylamines. Our catalytic system shows exclusive N-Me selectivity with a wide range of trialkylamines under mild conditions, even in the context of late-stage

  三烷基胺的多样性和广泛可用性使其成为快速构建复杂胺结构的理想来源。在此，我们报道镍/光氧化还原双重催化策略影响各种三烷基胺的位点选择性α-芳基化。我们的催化系统在温和条件下对多种三烷基胺表现出独特的N -Me 选择性，即使是在带有这种共同结构基序的药物化合物的后期芳基化的情况下也是如此。机理研究表明镍催化剂在拦截α-氨基自由基时表现出非常规的行为，其中只有伯α-氨基自由基经历了成功的交叉偶联过程。
• Nickel-Catalyzed Alkylarylation of Activated Alkenes with Benzyl-amines via C−N Bond Activation
  作者：Hui Yu、Bin Hu、Hanmin Huang

  DOI：10.1002/chem.201800543

  日期：2018.5.17

  A nickel‐catalyzed alkylarylation of active alkenes with tertiary benzylamines was achieved by charge‐transfer‐complex promoted C−N bond activation. The reaction proceeded through initial Ni‐catalyzed C−N bond activation, followed by sequential radical addition, redox and proton abstraction with cleaved amine moiety in the absence of oxidant, and provides an efficient method to prepare various alkyl‐substituted

  通过电荷转移络合物促进的C-N键活化，实现了镍与叔苄基胺催化的活性烯烃烷基芳基化反应。该反应通过最初的Ni催化的C-N键活化而进行，然后在不存在氧化剂的情况下依次进行自由基加成，氧化还原和带有裂解的胺部分的质子提取，为制备各种烷基取代的羟吲哚和二氢喹啉酮提供了一种有效的方法。产量。