2-(4-bromophenyl)-N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)acetamide | 1370550-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2-(4-bromophenyl)-N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)acetamide
• 英文别名: α-(4-bromophenyl)-N-cyclohexyl-2,3,4,5-tetrahydro-2,4-dioxo-1H-1,5-benzodiazepine-3-acetamide；2-(4-bromophenyl)-N-cyclohexyl-2-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)acetamide
• CAS: 1370550-60-9
• 化学式: C₂₃H₂₄BrN₃O₃
• 分子量: 470.366
• InChiKey: LILXTNBHSKYMQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(4-bromobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 、 异氰环已烷 、 邻苯二胺 在 水 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以77%的产率得到2-(4-bromophenyl)-N-cyclohexyl-2-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)acetamide
  参考文献：
  名称：

  Synthesis of New Tetrahydro-1,5-benzodiazepin-3-yl-2-phenylacetamidesviaIsocyanide-Based Multicomponent Reactions

  摘要：

  New tetrahydro‐1H‐1,5‐benzodiazepin‐2‐phenylacetamides were synthesized in good yields by a four‐component reaction of benzylidene Meldrum's acid, benzene‐1,2‐diamines, isocyanides, and water in CH2Cl2 at room temperature.

  DOI：

  10.1002/jhet.1041

文献信息

• Isocyanide-Based Five-Component Synthesis of 2-Aryl-2-(2,3,4,5-tetrahydro-2,4-dioxo-1H-1,5-benzodiazepin-3-yl)acetamides (=α-Aryl-2,3,4,5-tetrahydro-2,4-dioxo-1H-1,5-benzodiazepine-3-acetamides)
  作者：Roya Akbarzadeh、Tayebeh Amanpour、Ali Abolhasani Soorki、Ayoob Bazgir

  DOI：10.1002/hlca.201100313

  日期：2012.3

  AbstractAn efficient and simple method for the synthesis of new 2‐aryl‐2‐(2,3,4,5‐tetrahydro‐2,4‐dioxo‐1H‐1,5‐benzodiazepin‐3‐yl)acetamides (=α‐aryl‐2,3,4,5‐tetrahydro‐2,4‐dioxo‐1H‐1,5‐benzodiazepine‐3‐acetamides) by a five‐component condensation reaction of benzene‐1,2‐diamine (1), Meldrum's acid (2), aldehydes 3, isocyanides 4, and H2O in CH2Cl2 at room temperature is reported (Table 1 and Scheme 2). These products were evaluated in vitro for their antibacterial activities (Table 2).
• Synthesis of New Tetrahydro-1,5-benzodiazepin-3-yl-2-phenylacetamides<i>via</i>Isocyanide-Based Multicomponent Reactions
  作者：Ali Mohammad Astaraki、Ayoob Bazgir

  DOI：10.1002/jhet.1041

  日期：2013.1

  New tetrahydro‐1H‐1,5‐benzodiazepin‐2‐phenylacetamides were synthesized in good yields by a four‐component reaction of benzylidene Meldrum's acid, benzene‐1,2‐diamines, isocyanides, and water in CH2Cl2 at room temperature.