6-氯-2,1-苯并恶唑-3(1H)-酮 | 344779-30-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 6-氯-2,1-苯并恶唑-3(1H)-酮
• 英文名称: 6-chlorobenzo[c]isoxazol-3(1H)-one
• 英文别名: 6-chloro-1H-2,1-benzoxazol-3-one
• CAS: 344779-30-2
• 化学式: C₇H₄ClNO₂
• 分子量: 169.567
• InChiKey: HPIINRLMKNGVMI-UHFFFAOYSA-N

物化性质

• 沸点：
  272.7±42.0 °C(Predicted)
• 密度：
  1.486±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  acetamidomethyl acetate 、 6-氯-2,1-苯并恶唑-3(1H)-酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以57%的产率得到
  参考文献：
  名称：

  Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials

  摘要：

  A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared. The design concept involved replacement of the requisite SP3-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, pyrroles, and isoxazolinones is described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.076
• 作为产物：
  描述：

  4-Chloro-2-hydroxyamino-benzoic acid methyl ester 在 sodium hydroxide 作用下， 生成 6-氯-2,1-苯并恶唑-3(1H)-酮
  参考文献：
  名称：

  Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials

  摘要：

  A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared. The design concept involved replacement of the requisite SP3-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, pyrroles, and isoxazolinones is described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.076

文献信息

• [EN] QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS SYNCYTIAL RESPIRATOIRE À BASE DE QUINAZOLINE
  申请人：MEDIVIR AB

  公开号：WO2015065338A1

  公开（公告）日：2015-05-07

  Compounds of Formula (I), wherein R1, R2, R3, R4 and n are defined herein, are useful as inhibitors of RSV.

  式（I）的化合物，其中R1、R2、R3、R4和n的定义如下，在RSV的抑制剂方面是有用的。
• US4631331A
  申请人：——

  公开号：US4631331A

  公开（公告）日：1986-12-23
• US4716204A
  申请人：——

  公开号：US4716204A

  公开（公告）日：1987-12-29
• Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials
  作者：Lawrence B. Snyder、Zhaoxing Meng、Robert Mate、Stanley V. D’Andrea、Anne Marinier、Claude A. Quesnelle、Patrice Gill、Kenneth L. DenBleyker、Joan C. Fung-Tomc、MaryBeth Frosco、Alain Martel、John F. Barrett、Joanne J. Bronson

  DOI：10.1016/j.bmcl.2004.06.076

  日期：2004.9

  A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared. The design concept involved replacement of the requisite SP3-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, pyrroles, and isoxazolinones is described. (C) 2004 Elsevier Ltd. All rights reserved.