2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one | 198704-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
• 英文别名: 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one
• CAS: 198704-48-2
• 化学式: C₁₆H₁₃NO₃
• 分子量: 267.284
• InChiKey: KMQIYGBEGPWIJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯磺酰基叠氮化物 、 2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one 在 silver hexafluoroantimonate 、 [RhCl2(p-cymene)]2 、 copper(II) acetate monohydrate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以89%的产率得到N-(5-ethoxy-2-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)benzenesulfonamide
  参考文献：
  名称：

  Ruthenium catalyzed chemo and site-selective C–H amidation of oxobenzoxazine derivatives with sulfonyl azides

  摘要：

  通过钌催化的分子间C-H胺化，使用磺酰叠氮化合物作为胺化组分，首次开发了合成高度官能化的邻胺基氧代苯并噁嗪骨架的新颖通用协议。

  DOI：

  10.1039/c9nj02452b

文献信息

• Palladium catalyzed chemo- and site-selective C–H acetoxylation and hydroxylation of oxobenzoxazine derivatives
  作者：Manickam Bakthadoss、Polu Vijay Kumar、Ravan Kumar、Vishal Agarwal

  DOI：10.1039/c9ob00642g

  日期：——

  An efficient protocol for the introduction of acetoxy and hydroxy functionalities on unactivated aryl sp2 carbons of oxobenzoxazine derivatives via an ortho-C–H activation reaction using a palladium catalyst has been developed for the first time. Interestingly, this intermolecular C–H functionalization reaction takes place in a facile and simple manner with high chemo- and site selectivity.

  用于引入上未活化的芳基SP乙酰氧基和羟基官能团的有效协议2个碳oxobenzoxazine衍生物经由一个邻使用钯催化剂-C-H活化反应已发展为第一次。有趣的是，这种分子间CH官能化反应以简便，简单的方式进行，具有很高的化学和位点选择性。
• USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER
  申请人：Arexis AB

  公开号：EP1631295A2

  公开（公告）日：2006-03-08
• Use of heterocyclic compounds as scce inhibitors
  申请人：Linschoten Marcel

  公开号：US20060258651A1

  公开（公告）日：2006-11-16

  The present invention relates to heterocyclic inhibitors of stratum corneum chymotryptic enzyme (SCCE). More particularly, the invention relates to the use of compounds with the formula (I) or (II) for treatment of certain diseases, in particular skin diseases such as pruirtus, as well as cancer such as ovarian cancer.
• US7872052B2
  申请人：——

  公开号：US7872052B2

  公开（公告）日：2011-01-18
• [EN] USE OF HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS<br/>[FR] UTILISATION DE COMPOSES HETEROCYCLIQUES EN TANT QU'INHIBITEURS DE SCCE
  申请人：AREXIS AB

  公开号：WO2004108139A2

  公开（公告）日：2004-12-16

  The present invention relates to heterocyclic inhibitors of stratum corneum chymotryptic enzyme (SCCE). More particularly, the invention relates to the use of compounds with the formula (I) or (II) for treatment of certain diseases, in particular skin diseases such as pruirtus, as well as cancer such as ovarian cancer.