3-(pyrimidin-5-yl)benzonitrile | 893734-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(pyrimidin-5-yl)benzonitrile
• 英文别名: 3-pyrimidin-5-ylbenzonitrile
• CAS: 893734-25-3
• 化学式: C₁₁H₇N₃
• mdl: MFCD06801977
• 分子量: 181.197
• InChiKey: BSZRWOTWRHTWPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(pyrimidin-5-yl)benzonitrile 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以93%的产率得到
  参考文献：
  名称：

  Visual Synchronous Exchange of Metal Nodes and Counteranions Constituting a Cobalt(II) Coordination Polymer

  摘要：

  A solid-state simultaneous exchange of metal nodes and counteranions based on a cobalt(2+) coordination polymer is reported for the first time. The ion-exchange process is visual, and the structural integrity of the cobalt(2+) coordination polymer is maintained during the ion-exchange process.

  DOI：

  10.1021/ic5013186
• 作为产物：
  描述：

  (3-嘧啶-5-苯基)甲醇 在 ammonium hydroxide 作用下， 以 叔丁醇 为溶剂， 120.0 ℃ 、1.0 MPa 条件下， 反应 24.0h， 以91%的产率得到3-(pyrimidin-5-yl)benzonitrile
  参考文献：
  名称：

  用于有氧氧化合成（杂）芳香醛、酮、酯、酸、腈和酰胺的“通用”催化剂

  摘要：

  功能化（杂）芳族化合物是基础和应用科学中广泛使用的不可或缺的化学品。其中，尤其是芳香醛、酮、羧酸、酯、腈和酰胺是有价值的精细和大宗化学品，可用于化学、制药、农业化学和材料工业。对于它们的合成，醇的催化有氧氧化构成了一种绿色、可持续且具有成本效益的工艺，理想情况下应该利用活性和选择性的 3D 金属。在这里，我们报告了通过在碳上热解钴-哌嗪-酒石酸络合物作为最通用的氧化催化剂，制备包裹在 Co-纳米颗粒中的石墨层。这种独特的材料可以合成简单、功能化和结构多样的（杂）芳香醛、酮、

  DOI：

  10.1016/j.chempr.2021.12.001

文献信息

• SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP3604308A1

  公开（公告）日：2020-02-05

  This invention relates to substituted bicyclic dihydropyrimidinones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  本发明涉及式 1 的取代双环二氢嘧啶酮 及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途、含有该物质的药物组合物，以及使用该物质作为治疗和/或预防肺部、胃肠道和泌尿生殖系统疾病、皮肤和眼部炎症性疾病及其他自身免疫性和过敏性疾病、异体移植排斥反应和肿瘤疾病的药物的方法。
• A General Suzuki Cross-Coupling Reaction of Heteroaromatics Catalyzed by Nanopalladium on Amino-Functionalized Siliceous Mesocellular Foam
  作者：Emma Bratt、Oscar Verho、Magnus J Johansson、Jan-Erling Bäckvall

  DOI：10.1021/jo500409r

  日期：2014.5.2

  Suzuki-Miyaura cross-coupling reactions of heteroaromatics catalyzed by palladium supported in the cavities of amino-functionalized siliceous mesocellular foam are presented. The nanopalladium catalyst effectively couples not only heteroaryl halides with boronic acids but also heteroaryl halides with boronate esters, potassium trifluoroborates, MIDA boronates, and triolborates, producing a wide range of heterobiaryls in good to excellent yields. Furthermore, the heterogeneous palladium nanocatalyst can easily be removed from the reaction mixture by filtration and recycled several times with minimal loss in activity. This catalyst provides an alternative, environmentally friendly, low-leaching process for the preparation of heterobiaryls.
• US9657015B2
  申请人：——

  公开号：US9657015B2

  公开（公告）日：2017-05-23
• A “universal” catalyst for aerobic oxidations to synthesize (hetero)aromatic aldehydes, ketones, esters, acids, nitriles, and amides
  作者：Thirusangumurugan Senthamarai、Vishwas G. Chandrashekhar、Nils Rockstroh、Jabor Rabeah、Stephan Bartling、Rajenahally V. Jagadeesh、Matthias Beller

  DOI：10.1016/j.chempr.2021.12.001

  日期：2022.2

  compounds are indispensable chemicals widely used in basic and applied sciences. Among these, especially aromatic aldehydes, ketones, carboxylic acids, esters, nitriles, and amides represent valuable fine and bulk chemicals, which are used in chemical, pharmaceutical, agrochemical, and material industries. For their synthesis, catalytic aerobic oxidation of alcohols constitutes a green, sustainable, and cost-effective

  功能化（杂）芳族化合物是基础和应用科学中广泛使用的不可或缺的化学品。其中，尤其是芳香醛、酮、羧酸、酯、腈和酰胺是有价值的精细和大宗化学品，可用于化学、制药、农业化学和材料工业。对于它们的合成，醇的催化有氧氧化构成了一种绿色、可持续且具有成本效益的工艺，理想情况下应该利用活性和选择性的 3D 金属。在这里，我们报告了通过在碳上热解钴-哌嗪-酒石酸络合物作为最通用的氧化催化剂，制备包裹在 Co-纳米颗粒中的石墨层。这种独特的材料可以合成简单、功能化和结构多样的（杂）芳香醛、酮、
• Visual Synchronous Exchange of Metal Nodes and Counteranions Constituting a Cobalt(II) Coordination Polymer
  作者：Jian-Cheng Wang、Qi-Kui Liu、Jian-Ping Ma、Fang Huang、Yu-Bin Dong

  DOI：10.1021/ic5013186

  日期：2014.10.20

  A solid-state simultaneous exchange of metal nodes and counteranions based on a cobalt(2+) coordination polymer is reported for the first time. The ion-exchange process is visual, and the structural integrity of the cobalt(2+) coordination polymer is maintained during the ion-exchange process.