4-cyano-N-(p-tolyl)benzamide | 354770-01-7

• 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-cyano-N-(p-tolyl)benzamide
• 英文别名: 4-cyano-N-(4-methylphenyl)benzamide
• CAS: 354770-01-7
• 化学式: C₁₅H₁₂N₂O
• mdl: MFCD00451473
• 分子量: 236.273
• InChiKey: NWSPEKLGHUDDMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对氰基苯乙酮 在 叔丁基过氧化氢 、 selenium(IV) oxide 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 48.0h， 生成 4-cyano-N-(p-tolyl)benzamide
  参考文献：
  名称：

  α-酮酸与游离胺的无催化剂单线态氧促进的脱羧酰胺化

  摘要：

  已经开发了在温和条件下用胺进行的新型无催化剂的α-酮酸与胺的脱羧酰胺化反应。新协议的优点包括避免了金属催化剂和高水平的官能团耐受性。另外，该反应可以扩大规模并且显示出高的化学选择性。初步的机理研究表明，辐照下由氧气产生的单线态氧是这种无催化剂转化的关键促进剂。

  DOI：

  10.1021/acs.orglett.6b01296

文献信息

• Acyl Cyanides as Bifunctional Reagent: Application in Copper-Catalyzed Cyanoamidation and Cyanoesterification Reaction
  作者：Zhengwang Chen、Xiaowei Wen、Weiping Zheng、Ruolan He、Dou Chen、Dingsheng Cao、Lipeng Long、Min Ye

  DOI：10.1021/acs.joc.9b03500

  日期：2020.4.17

  Cu-catalyzed domino decyanation and cyanation reaction of acyl cyanides with amines or alcohols have been developed. The cyano sources were generated in situ via C–CN cleavage yielding the corresponding cyano substituted amides or esters in moderate to excellent yields. This approach features a cheap copper catalyst, domino decyanation and cyanation reaction, readily available starting materials, broad

  已经开发了Cu催化的多米诺骨牌脱氰和酰基氰与胺或醇的氰化反应。通过C-CN裂解原位生成氰基源，以中等到极好的收率得到相应的氰基取代的酰胺或酯。这种方法具有廉价的铜催化剂，多米诺骨牌脱氰和氰化反应，易于获得的起始原料，广泛的底物范围，操作简便以及氰基进一步转化的潜力。
• <scp>Iron‐Catalyzed</scp> Amide Bond Formation from Carboxylic Acids and Isocyanates^†
  作者：Lingjian Zi、Jing Zhang

  DOI：10.1002/cjoc.202300396

  日期：2023.12

  We describe an iron-catalyzed amide bond formation from readily available carboxylic acids and isocyanates. This method utilizes an abundant and biocompatible iron catalyst and easily accessible starting materials, generates CO2 as the only byproduct, and features broad substrate scopes with good functional group compatibility. Therefore, it provides a cost-effective and practical protocol to access

  我们描述了由容易获得的羧酸和异氰酸酯形成的铁催化酰胺键。该方法利用丰富且生物相容的铁催化剂和易于获得的起始原料，产生CO 2作为唯一的副产物，并且具有广泛的底物范围和良好的官能团相容性。因此，它提供了一种经济有效且实用的方案来获取多种酰胺。
• Direct Oxidative Amidation of Aldehydes with Anilines under Mechanical Milling Conditions
  作者：Jie Gao、Guan-Wu Wang

  DOI：10.1021/jo800075t

  日期：2008.4.1

  Oxone is found to be an effective oxidant for the oxidative amidation of aldehydes with anilines to furnish amides in a one-pot process under mechanical milling conditions.
• IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY
  申请人：Gadek R. Thomas

  公开号：US20070141630A1

  公开（公告）日：2007-06-21

  Methods for identifying novel drug leads or binding compounds that have an affinity for a target molecule involving screening known drug fragment molecules and derivatives thereof, preferably using mass spectrometry are disclosed.
• [EN] COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS<br/>[FR] COMPOSÉS QUI DÉVELOPPENT DES CELLULES SOUCHES HÉMATOPOÏÉTIQUES
  申请人：IRM LLC

  公开号：WO2012102937A2

  公开（公告）日：2012-08-02

  The present invention relates to compounds and compositions for expanding the number of CD34+ cells for transplantation. The invention further relates to a cell population comprising expanded hematopoietic stem cells (HSCs) and its use in autologous or allogeneic transplantation for the treatment of patients with inherited immunodeficient and autoimmune diseases and diverse hematopoietic disorders to reconstitute the hematopoietic cell lineages and immune system defense.