N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]oxazepin-3-yl)-2-methylpropanamide | 1173204-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]oxazepin-3-yl)-2-methylpropanamide
• 英文别名: N-cyclohexyl-2-(2,4-dioxo-5H-1,5-benzoxazepin-3-yl)-2-methylpropanamide
• CAS: 1173204-06-2
• 化学式: C₁₉H₂₄N₂O₄
• 分子量: 344.411
• InChiKey: QMWGLMQUPRQXKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 异氰环已烷 、 2-氨基苯酚 在 MCM-48/H₅PW₁₀V₂O₄₀ 作用下， 以 水 为溶剂， 反应 2.5h， 以90%的产率得到N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]oxazepin-3-yl)-2-methylpropanamide
  参考文献：
  名称：

  水性介质中苯并a氮平和丙二酰胺衍生物的生态友好合成

  摘要：

  报道了一种特殊，有效且可重复使用的非均相催化体系，用于在存在a的情况下一系列丙二酰胺和2,3,4,5-四氢苯并[ b ] [1,4]氧杂a庚因衍生物的单锅三组分合成。在水性介质中和室温下，由MCM-48 / H 5 PW 10 V 2 O 40组成的非均质材料。通过与文献中报道的那些进行比较，使用物理数据（熔点）来鉴定产物。同样，通过红外，1 H NMR，13 C NMR和CHN分析来表征新化合物的结构。版权所有©2016 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/aoc.3463

文献信息

• Environmentally friendly and highly efficient synthesis of benzoxazepine and malonamide derivatives using HPA/TPI-Fe₃O₄nanoparticles as recoverable catalyst in aqueous media
  作者：Esmail Vessally、Rahim Hosseinzadeh-Khanmiri、Mirzaagha Babazadeh、Ebrahim Ghorbani-Kalhor、Ladan Edjlali

  DOI：10.1002/aoc.3603

  日期：2017.5

  A magnetic inorganic–organic nanohybrid material (HPA/TPI‐Fe3O4 NPs) was produced as an efficient, highly recyclable and eco‐friendly catalyst for the one‐pot multi‐component synthesis of malonamide and 2,3,4,5‐tetrahydrobenzo[b][1,4]oxazepine derivatives with high yields in short reaction times (25–35 min) in aqueous media at room temperature. The nanohybrid catalyst was prepared by the chemical anchoring

  磁性无机-有机纳米杂化材料（HPA / TPI-Fe 3 O 4 NPs）是一种高效，高度可回收和生态友好的催化剂，可用于单锅多组分合成丙二酰胺和2,3,4,5 -四氢苯并[ b ] [1,4]氮杂min庚因衍生物在室温下在水性介质中以较短的反应时间（25-35分钟）具有高收率。通过将H 6 P 2 W 18 O 62化学锚定在具有N的改性Fe 3 O 4纳米颗粒（NPs）的表面上来制备纳米混合催化剂。-[3-（三乙氧基甲硅烷基）丙基]异烟酰胺（TPI）接头。磁性可回收的催化剂易于循环至少十次而没有任何催化活性的损失。
• A Novel One-Pot Three-(<i>in Situ</i> Five-)Component Condensation Reaction: An Unexpected Approach for the Synthesis of Tetrahydro-2,4-dioxo-1<i>H</i>-benzo[<i>b</i>][1,5]diazepine-3-yl-2-methylpropanamide Derivatives
  作者：Ahmad Shaabani、Ali Hossein Rezayan、Sajjad Keshipour、Afshin Sarvary、Seik Weng Ng

  DOI：10.1021/ol901196z

  日期：2009.8.6

  A novel and efficient method has been developed for the synthesis of tetrahydro-2,4-dioxo-1H-benzo[b][1,5]diazepine-3-yl-2-methylpropanamide derivatives using an aromatic diamine, Meldrum's acid, and an isocyanide in CH2Cl2 at ambient temperature in high yields without using any catalyst or activation. The procedure provides an alternative method for the synthesis of benzo[b][1,5]diazepine derivatives. These compounds have closely related ring systems such as triflubazam, clobazam, and 1,5-benzodiazepines, which have a broad spectrum of biological activities.
• Novel Isocyanide-Based One-Pot Multicomponent Syntheses of Tetrahydrobenzo[<i>b</i>][1,4]oxazepine and Malonamide Derivatives
  作者：Ahmad Shaabani、Hamid Mofakham、Ali Maleki、Fatemeh Hajishaabanha

  DOI：10.1021/cc100032d

  日期：2010.9.13

  In this work, a novel one-pot multicomponent reaction of 2-aminophenols, Meldrum's acid, and isocyanides leads to the synthesis of tetrahydrobenzo[b][1,4]oxazepine or malonamide derivatives using 1 or 2 equiv of 2-aminophenols, respectively, in good to excellent yields at ambient temperature.