3,4-dihydro-9-methoxy-6-phenyl-2H-benzo[b][1,5]oxazocine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4-dihydro-9-methoxy-6-phenyl-2H-benzo[b][1,5]oxazocine
• 英文别名: 9-methoxy-6-phenyl-3,4-dihydro-2H-1,5-benzoxazocine
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: SURVVJSUSXYGEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  N-(3-羟丙基)氨基甲酸叔丁酯 、 紫外线吸收剂 UV-9 在 bis(2-methoxyethyl) azodicarboxylate 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 102.0h， 生成 3,4-dihydro-9-methoxy-6-phenyl-2H-benzo[b][1,5]oxazocine
  参考文献：
  名称：

  One-Pot, Diversity-Oriented Synthesis of Aryl-Substituted Benzoxacycles Including Benzofuran, Coumarin, and Benzoxazepine

  摘要：

  A one-pot method for the synthesis of benzoxacycles including benzofuran, coumarin, benzoxazepine, and benzoxazocine from a common synthetic intermediate was established. Benzoxacycles are privileged structures in medicinal chemistry and have featured in several clinically used drugs. The synthesis of a benzofuran containing an aryl substituent was accomplished using potassium carbonate and sodium hydride. The one-pot synthesis of coumarin was also carried out using trans-decalin as the solvent. The optimized conditions for the one-pot synthesis of benzoxazepine can also be applied to the synthesis of benzoxazocine.

  DOI：

  10.3987/com-17-13791

文献信息

• One-Pot, Diversity-Oriented Synthesis of Aryl-Substituted Benzoxacycles Including Benzofuran, Coumarin, and Benzoxazepine
  作者：Takashi Takahashi、Hisashi Masui、Eri Ohkawa、Rika Kitahara、Kiyofumi Wanibuchi

  DOI：10.3987/com-17-13791

  日期：——

  A one-pot method for the synthesis of benzoxacycles including benzofuran, coumarin, benzoxazepine, and benzoxazocine from a common synthetic intermediate was established. Benzoxacycles are privileged structures in medicinal chemistry and have featured in several clinically used drugs. The synthesis of a benzofuran containing an aryl substituent was accomplished using potassium carbonate and sodium hydride. The one-pot synthesis of coumarin was also carried out using trans-decalin as the solvent. The optimized conditions for the one-pot synthesis of benzoxazepine can also be applied to the synthesis of benzoxazocine.