4-butyl-6-nitro-2H-benzo[1,4]thiazin-3-one | 385442-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-butyl-6-nitro-2H-benzo[1,4]thiazin-3-one
• 英文别名: 4-butyl-6-nitro-2H-1,4-benzothiazin-3-one；4-butyl-6-nitro-1,4-benzothiazin-3-one
• CAS: 385442-56-8
• 化学式: C₁₂H₁₄N₂O₃S
• 分子量: 266.321
• InChiKey: XRJKFWGRFHCBIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  91.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-butyl-6-nitro-2H-benzo[1,4]thiazin-3-one 在 盐酸 、 tin(ll) chloride 作用下， 反应 2.25h， 以64%的产率得到6-amino-4-butyl-2H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  Synthesis and microbiological activity of some 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives

  摘要：

  The synthesis and physicochemical properties of 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives are described. These new compounds were synthesised by alkylation in 4-N position and acylation and/or alkylation of 6-NH2 by phase transfer catalysis. Acid hydrolysis of 6-alkylacylamino group yielded 6-alkylamino-4-butyl-2H-benzo[1,4]thiazin-3-ones. The antimicrobial in vitro activity was determined on five compounds.

  DOI：

  10.1016/s0014-827x(01)01113-2
• 作为产物：
  描述：

  正溴丁烷 、 6-硝基-2H-苯并[b][1,4]噻嗪-3(4H)-酮 在 氢氧化钾 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 15.17h， 以68%的产率得到4-butyl-6-nitro-2H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  Synthesis and microbiological activity of some 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives

  摘要：

  The synthesis and physicochemical properties of 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives are described. These new compounds were synthesised by alkylation in 4-N position and acylation and/or alkylation of 6-NH2 by phase transfer catalysis. Acid hydrolysis of 6-alkylacylamino group yielded 6-alkylamino-4-butyl-2H-benzo[1,4]thiazin-3-ones. The antimicrobial in vitro activity was determined on five compounds.

  DOI：

  10.1016/s0014-827x(01)01113-2

文献信息

• Synthesis and microbiological activity of some 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives
  作者：V.L de M. Guarda、M Perrissin、F Thomasson、E.A Ximenes、S.L Galdino、I.R Pitta、C Luu-Duc

  DOI：10.1016/s0014-827x(01)01113-2

  日期：2001.8

  The synthesis and physicochemical properties of 4-butyl-2H-benzo[1,4]thiazin-3-one derivatives are described. These new compounds were synthesised by alkylation in 4-N position and acylation and/or alkylation of 6-NH2 by phase transfer catalysis. Acid hydrolysis of 6-alkylacylamino group yielded 6-alkylamino-4-butyl-2H-benzo[1,4]thiazin-3-ones. The antimicrobial in vitro activity was determined on five compounds.