7-<4-Methoxy-phenyl>-1,2,3,4-tetrahydro-1,4-diazepin-5-on | 3295-04-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-<4-Methoxy-phenyl>-1,2,3,4-tetrahydro-1,4-diazepin-5-on
• 英文别名: 7-(4-methoxy-phenyl)-1,2,3,4-tetrahydro-[1,4]diazepin-5-one；7-(4-Methoxyphenyl)-3,4-dihydro-1H-1,4-diazepin-5(2H)-one；7-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-diazepin-5-one
• CAS: 3295-04-3
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: FDBWDMFQWKUOMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-<4-Methoxy-phenyl>-1,2,3,4-tetrahydro-1,4-diazepin-5-on 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 60.0 ℃ 、5.0 MPa 条件下， 反应 24.0h， 以90%的产率得到7-(4-Methoxyphenyl)-1,4-diazepan-5-one
  参考文献：
  名称：

  Synthesis of 1,4-diazepin-5-ones under microwave irradiation and their reduction products

  摘要：

  A new efficient access to 1,4-diazepane derivatives is described via a microwave assisted synthesis of 7-substituted-1,4-diazepin-5-ones, which proceeds rapidly in good yields. Catalytic reduction gave 1,4-diazepan-5-ones and 1,4-diazepanes whereas a ring opening was observed by hydride reduction when a phenyl group occupies the N-benzylic position. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.02.021
• 作为产物：
  描述：

  乙二胺 、 3-(4-甲氧苯基)-3-氧代丙酸乙酯 以 xylene 为溶剂， 反应 0.17h， 以58%的产率得到7-<4-Methoxy-phenyl>-1,2,3,4-tetrahydro-1,4-diazepin-5-on
  参考文献：
  名称：

  Synthesis of 1,4-diazepin-5-ones under microwave irradiation and their reduction products

  摘要：

  A new efficient access to 1,4-diazepane derivatives is described via a microwave assisted synthesis of 7-substituted-1,4-diazepin-5-ones, which proceeds rapidly in good yields. Catalytic reduction gave 1,4-diazepan-5-ones and 1,4-diazepanes whereas a ring opening was observed by hydride reduction when a phenyl group occupies the N-benzylic position. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.02.021

文献信息

• Synthesis of 1,4-diazepin-5-ones under microwave irradiation and their reduction products
  作者：Nicolas Wlodarczyk、Pauline Gilleron、Régis Millet、Raymond Houssin、Jean-Pierre Hénichart

  DOI：10.1016/j.tetlet.2007.02.021

  日期：2007.4

  A new efficient access to 1,4-diazepane derivatives is described via a microwave assisted synthesis of 7-substituted-1,4-diazepin-5-ones, which proceeds rapidly in good yields. Catalytic reduction gave 1,4-diazepan-5-ones and 1,4-diazepanes whereas a ring opening was observed by hydride reduction when a phenyl group occupies the N-benzylic position. (c) 2007 Elsevier Ltd. All rights reserved.