2-fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine | 477779-28-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine
• 英文别名: 8-fluoro-6,11-dihydrobenzo[c][1,5]benzoxazepine
• CAS: 477779-28-5
• 化学式: C₁₃H₁₀FNO
• 分子量: 215.227
• InChiKey: RBTUMABXXPXRMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-1-(4-dimethylaminophenethyl)-3-methanesulfonyloxypyrrolidine 、 2-fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 14.67h， 以32%的产率得到(R)-2-Fluoro-5,11-dihydro-5-[1-(4-dimethylaminophenethyl)pyrrolidin-3-yl]dibenzo[b,e][1,4]oxazepine
  参考文献：
  名称：

  EP1403258

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(2-bromo-5-fluorobenzyloxy)aniline 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 三叔丁基膦 、 potassium carbonate 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以93%的产率得到2-fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine
  参考文献：
  名称：

  An Efficient Assembly of Heterobenzazepine Ring Systems Utilizing an Intramolecular Palladium-Catalyzed Cycloamination

  摘要：

  Azaheterocyclic compounds are interesting and medicinally relevant targets. Herein we disclose an improved synthesis into the oxazepine and thiazepine ring systems. The key step in the synthesis exploits recent advancements in the palladium-catalyzed amination reaction, which was utilized to form the seven-membered rings. General conditions for this reaction were Pd(2)dba(3), P(t-BU)(3), NaO-t-Bu alone or with K2CO3, in toluene. The scope of the reaction was investigated, and has been shown to be effective on a variety of substrates as illustrated.

  DOI：

  10.1021/jo026546g

文献信息

• Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same
  申请人：Ajinomoto Co., Inc.

  公开号：US20040110742A1

  公开（公告）日：2004-06-10

  The present invention provides dihydrodiaryloxazepine derivative represented by the following formula [1], analogs thereof and pharmaceutical compositions containing them. Those compounds have an excellent effect of improving functional diseases of gastrointestinal tracts. 1

  本发明提供了以下公式（1）所表示的二氢二苯并噁唑啉衍生物，其类似物以及含有它们的制药组合物。这些化合物具有改善胃肠道功能性疾病的优异效果。
• DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1403258A1

  公开（公告）日：2004-03-31

  The present invention provides dihydrodiaryloxazepine derivative represented by the following formula [1], analogs thereof and pharmaceutical compositions containing them. Those compounds have an excellent effect of improving functional diseases of gastrointestinal tracts.

  本发明提供了由下式[1]代表的二氢二氮杂卓衍生物、其类似物以及含有它们的药物组合物。这些化合物在改善胃肠道功能性疾病方面具有极佳的效果。
• US7320973B2
  申请人：——

  公开号：US7320973B2

  公开（公告）日：2008-01-22
• An Efficient Assembly of Heterobenzazepine Ring Systems Utilizing an Intramolecular Palladium-Catalyzed Cycloamination
  作者：Brandon J. Margolis、Jacob J. Swidorski、Bruce N. Rogers

  DOI：10.1021/jo026546g

  日期：2003.1.1

  Azaheterocyclic compounds are interesting and medicinally relevant targets. Herein we disclose an improved synthesis into the oxazepine and thiazepine ring systems. The key step in the synthesis exploits recent advancements in the palladium-catalyzed amination reaction, which was utilized to form the seven-membered rings. General conditions for this reaction were Pd(2)dba(3), P(t-BU)(3), NaO-t-Bu alone or with K2CO3, in toluene. The scope of the reaction was investigated, and has been shown to be effective on a variety of substrates as illustrated.
• EP1403258
  申请人：——

  公开号：——

  公开（公告）日：——