2-methyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine | 443749-33-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine
• 英文别名: 2-Methyl-10,11-dihydro-dibenzo[b,f][1,4]oxazepine；8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
• CAS: 443749-33-5
• 化学式: C₁₄H₁₃NO
• mdl: MFCD02737887
• 分子量: 211.263
• InChiKey: NCEYQLGZLWZIPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-癸炔 、 一氧化碳 、 2-methyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine 在 Wilkinson's catalyst 、 copper diacetate 、 lithium carbonate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 130.0 ℃ 、101.33 kPa 条件下， 反应 42.0h， 以35%的产率得到2,3-dibutyl-10-methylbenzo[6,7][1,4]oxazepino[2,3,4-ij]quinolin-1(12H)-one
  参考文献：
  名称：

  Rh-Catalyzed Construction of Quinolin-2(1H)-ones via C–H Bond Activation of Simple Anilines with CO and Alkynes

  摘要：

  A novel and efficient Rh-catalyzed Carbonylation and annulation of simple anilines with CO and alkynes through N-H and CH bond activation for the direct synthesis of quinolin-2(1H)-ones has been developed. Simple anilines without preactivation, broad substrate scope with hetero/polycycles, and high-value products make this protocol very-practical and attractive. A key rhodacycle complex was isolated and well-characterized.

  DOI：

  10.1021/jacs.5b05843

文献信息

• N-acylated tricyclic azaheterorings useful as vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：EP0640592B1

  公开（公告）日：1998-12-30
• Rh-Catalyzed Construction of Quinolin-2(1<i>H</i>)-ones via C–H Bond Activation of Simple Anilines with CO and Alkynes
  作者：Xinyao Li、Xinwei Li、Ning Jiao

  DOI：10.1021/jacs.5b05843

  日期：2015.7.29

  A novel and efficient Rh-catalyzed Carbonylation and annulation of simple anilines with CO and alkynes through N-H and CH bond activation for the direct synthesis of quinolin-2(1H)-ones has been developed. Simple anilines without preactivation, broad substrate scope with hetero/polycycles, and high-value products make this protocol very-practical and attractive. A key rhodacycle complex was isolated and well-characterized.