3-(2-氯乙酰基)-3H-苯并噁唑-2-酮 | 95923-44-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 3-(2-氯乙酰基)-3H-苯并噁唑-2-酮
• 中文别名: 3-(2-氯乙酰基)-3H-苯唑-2
• 英文名称: 3-(2-chloroacetyl)benzo[d]oxazol-2(3H)-one
• 英文别名: 3-(2-Chloro-acetyl)-3H-benzooxazol-2-one；3-(2-chloroacetyl)-1,3-benzoxazol-2-one
• CAS: 95923-44-7
• 化学式: C₉H₆ClNO₃
• 分子量: 211.605
• InChiKey: WRFNPIFZSMPCOT-UHFFFAOYSA-N

物化性质

• 沸点：
  328.1±44.0 °C(Predicted)
• 密度：
  1.513±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-(2-氯乙酰基)-3H-苯并噁唑-2-酮 、 二正丁胺 以71%的产率得到
  参考文献：
  名称：

  MUXAMEDOV, N. S.;ALIEV, N. A., ZH. BCEC. XIM. O-BA, 32,(1987) N 3, 342-344

  摘要：

  DOI：
• 作为产物：
  描述：

  2-苯并唑啉酮 、 氯乙酸酐 反应 2.0h， 以70%的产率得到3-(2-氯乙酰基)-3H-苯并噁唑-2-酮
  参考文献：
  名称：

  Electrogenerated N-heterocyclic carbenes: N-functionalization of benzoxazolones

  摘要：

  A simple electrochemical procedure for the N-acylation and N-alkylation of benzoxazol-2(3H)-ones has been set up via electrolysis of an ionic liquid containing a benzoxazolone followed by addition of saturated or unsaturated anhydrides or alkyl halides. The electrochemically induced N-functionalization of benzoxazol-2(3H)-ones works very well in all tested ionic liquids, avoiding the use of volatile organic solvents. The N-acyl and N-alkyl derivatives of benzoxazol-2(3H)-ones were isolated in good to excellent yields; moreover, the ionic liquid has been reused fivefold maintaining the high yield of the products. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.057

文献信息

• MUXAMEDOV, N. S.;ALIEV, N. A., ZH. BCEC. XIM. O-BA, 32,(1987) N 3, 342-344
  作者：MUXAMEDOV, N. S.、ALIEV, N. A.

  DOI：——

  日期：——
• Electrogenerated N-heterocyclic carbenes: N-functionalization of benzoxazolones
  作者：I. Chiarotto、M. Feroci、M. Orsini、G. Sotgiu、A. Inesi

  DOI：10.1016/j.tet.2009.02.057

  日期：2009.5

  A simple electrochemical procedure for the N-acylation and N-alkylation of benzoxazol-2(3H)-ones has been set up via electrolysis of an ionic liquid containing a benzoxazolone followed by addition of saturated or unsaturated anhydrides or alkyl halides. The electrochemically induced N-functionalization of benzoxazol-2(3H)-ones works very well in all tested ionic liquids, avoiding the use of volatile organic solvents. The N-acyl and N-alkyl derivatives of benzoxazol-2(3H)-ones were isolated in good to excellent yields; moreover, the ionic liquid has been reused fivefold maintaining the high yield of the products. (C) 2009 Elsevier Ltd. All rights reserved.