N-苯甲酰基-N-(2-氟苯基)甲磺酰胺 | 215657-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苯甲酰基-N-(2-氟苯基)甲磺酰胺
• 英文名称: N-benzoyl-N-(2-fluorophenyl)methanesulfonamide
• 英文别名: N-(2-fluorophenyl)-N-methylsulfonylbenzamide
• CAS: 215657-47-9
• 化学式: C₁₄H₁₂FNO₃S
• 分子量: 293.319
• InChiKey: QLTRMULPFHAUAR-UHFFFAOYSA-N

物化性质

• 沸点：
  418.8±47.0 °C(Predicted)
• 密度：
  1.383±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基哌嗪 、 N-苯甲酰基-N-(2-氟苯基)甲磺酰胺 反应 36.0h， 以93%的产率得到(3-甲基哌嗪-1-基)-苯基甲基酮
  参考文献：
  名称：

  Studies on Development of Sufficiently Chemoselective N-Acylation Reagents: N-Acyl-N-(2,3,4,5,6-pentafluorophenyl)methanesulfonamides

  摘要：

  A variety of storable N-acyl-N-(2,3,4,5,6-pentafluorophenyl)met (4a-e) prepared from N-2,3,4,5,6-pentafluorophenylmethanesulfonamide (3), have been developed after systematic research on the structure-reactivity relationship and were found to serve as N-acylation reagents exhibiting sufficiently good chemoselectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00549-4
• 作为产物：
  描述：

  在 吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 生成 N-苯甲酰基-N-(2-氟苯基)甲磺酰胺
  参考文献：
  名称：

  Studies on Development of Sufficiently Chemoselective N-Acylation Reagents: N-Acyl-N-(2,3,4,5,6-pentafluorophenyl)methanesulfonamides

  摘要：

  A variety of storable N-acyl-N-(2,3,4,5,6-pentafluorophenyl)met (4a-e) prepared from N-2,3,4,5,6-pentafluorophenylmethanesulfonamide (3), have been developed after systematic research on the structure-reactivity relationship and were found to serve as N-acylation reagents exhibiting sufficiently good chemoselectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00549-4

文献信息

• A versatile synthon for chemoselective N-acylation reagents, 2-fluoro-N-mesylaniline
  作者：Kazuhiro Kondo、Erika Sekimoto、Kazuki Miki、Yasuoki Murakami

  DOI：10.1039/a806186f

  日期：——

  2-Fluoro-N-mesylaniline 3b undergoes various N-acylattions easily to give 2-fluoro-N-acyl-N-mesylanilines 4b-8b, which function as good chemoselective N-acylation reagents, especially for benzyloxycarbonylation.