(E)-1-(3-bromo-4-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hept-1-en-3-one | 1330753-34-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (E)-1-(3-bromo-4-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hept-1-en-3-one
• 英文别名: (E)-1-(3-bromo-4-methoxy-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)hept-1-en-3-one
• CAS: 1330753-34-8
• 化学式: C₂₁H₂₃BrO₄
• 分子量: 419.315
• InChiKey: LRTFQYKXUSXZPC-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-1-(3-bromo-4-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hept-1-en-3-one 在 二苯硫醚 、 palladium 10% on activated carbon 、 氢气 作用下， 以 氯仿 为溶剂， 20.0 ℃ 、50.0 kPa 条件下， 反应 7.0h， 以90%的产率得到1-(3-bromo-4-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)heptan-3-one
  参考文献：
  名称：

  Microwave-assisted synthesis of macrocycles via intramolecular and/or bimolecular Ullmann coupling

  摘要：

  Microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling is described. Using the optimized conditions, a panel of macrocycles, with different substitution patterns, ring sizes, and linkers, has been successfully synthesized using microwave irradiation. To the best of our knowledge, this work represents the first examples of the microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.142
• 作为产物：
  描述：

  (3-benzyloxy-4-methoxyphenyl)cinnamaldehyde 在 palladium 10% on activated carbon 、 氢气 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 20.0 ℃ 、50.0 kPa 条件下， 反应 2.5h， 生成 (E)-1-(3-bromo-4-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hept-1-en-3-one
  参考文献：
  名称：

  Microwave-assisted synthesis of macrocycles via intramolecular and/or bimolecular Ullmann coupling

  摘要：

  Microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling is described. Using the optimized conditions, a panel of macrocycles, with different substitution patterns, ring sizes, and linkers, has been successfully synthesized using microwave irradiation. To the best of our knowledge, this work represents the first examples of the microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.142

文献信息

• Microwave-assisted synthesis of macrocycles via intramolecular and/or bimolecular Ullmann coupling
  作者：Li Shen、Charles J. Simmons、Dianqing Sun

  DOI：10.1016/j.tetlet.2012.05.142

  日期：2012.8

  Microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling is described. Using the optimized conditions, a panel of macrocycles, with different substitution patterns, ring sizes, and linkers, has been successfully synthesized using microwave irradiation. To the best of our knowledge, this work represents the first examples of the microwave-assisted synthesis of macrocyclic diaryl ethers via intramolecular and/or bimolecular Ullmann coupling. (C) 2012 Elsevier Ltd. All rights reserved.