3-ethyl-2,4-dimethyl-3H-benzo[b][1,4]diazepine | 1006613-78-0

• 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: 3-ethyl-2,4-dimethyl-3H-benzo[b][1,4]diazepine
• 英文别名: 3-ethyl-2,4-dimethyl-3H-1,5-benzodiazepine
• CAS: 1006613-78-0
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: KXWSDZSFAUUPPF-UHFFFAOYSA-N

物化性质

• 沸点：
  300.4±42.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-乙基-2,4-戊二酮 、 邻苯二胺 以 neat (no solvent) 为溶剂， 反应 0.25h， 以95%的产率得到3-ethyl-2,4-dimethyl-3H-benzo[b][1,4]diazepine
  参考文献：
  名称：

  Mixing with microwaves: solvent-free and catalyst-free synthesis of pyrazoles and diazepines

  摘要：

  A simple and facile condensation of hydrazines/hydrazides and diamines with 1,3-diketones/beta-ketoester leads to the preparation of pyrazoles and diazepines in high yields. This eco-friendly protocol is accelerated by microwave heating and efficiently carried out without any reaction solvent or catalyst in as little as 5 min. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2013.01.029

文献信息

• Greener and rapid access to bio-active heterocycles: room temperature synthesis of pyrazoles and diazepines in aqueous medium
  作者：Vivek Polshettiwar、Rajender S. Varma

  DOI：10.1016/j.tetlet.2007.11.017

  日期：2008.1

  An expeditious room temperature synthesis of pyrazoles and diazepines by condensation of hydrazines/hydrazides and diamines with various 1,3-diketones is described. This greener protocol was catalyzed by polystyrene supported sulfonic acid (PSSA) and proceeded efficiently in water in the absence of any organic solvent within 1-2 min. (C) 2007 Elsevier Ltd. All rights reserved.
• Mixing with microwaves: solvent-free and catalyst-free synthesis of pyrazoles and diazepines
  作者：Buchi Reddy Vaddula、Rajender S. Varma、John Leazer

  DOI：10.1016/j.tetlet.2013.01.029

  日期：2013.3

  A simple and facile condensation of hydrazines/hydrazides and diamines with 1,3-diketones/beta-ketoester leads to the preparation of pyrazoles and diazepines in high yields. This eco-friendly protocol is accelerated by microwave heating and efficiently carried out without any reaction solvent or catalyst in as little as 5 min. Published by Elsevier Ltd.