3-isonicotinoyl-6,7-dimethoxy-4-methylidene-2H-1,3-benzothiazine

• 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: 3-isonicotinoyl-6,7-dimethoxy-4-methylidene-2H-1,3-benzothiazine
• 英文别名: 3-(Pyridin-4-ylcarbonyl)-4-methylene-6,7-dimethoxy-3,4(2H)dihydro-1,3-benzothiazine；(6,7-dimethoxy-4-methylidene-2H-1,3-benzothiazin-3-yl)-pyridin-4-ylmethanone
• 化学式: C₁₇H₁₆N₂O₃S
• 分子量: 328.392
• InChiKey: QZCZUKSRIRBTCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异烟酸 、 4-methyl-6,7-dimethoxy-2H-1,3-benzothiazine 以90%的产率得到3-isonicotinoyl-6,7-dimethoxy-4-methylidene-2H-1,3-benzothiazine
  参考文献：
  名称：

  Fragmentation of enamides derived from 6,7-dimethoxy-4-methyl-2H-1,3-benzothiazin and 3,4-dihydro-6,7-dimethoxy-1-methylixopuinoline

  摘要：

  AbstractThe electron impact mass spectra of several enamides have been examined. The enamides were prepared by reaction of aroyl halides with 6,7‐dimethoxy‐4‐methyl‐1,3‐benzothiazin, and with 3,4‐dihydro‐6,7‐dimethoxy‐l‐methylisoquinoline. The fragmentation pathways that have been proposed are supported by ion composition determinations and by mass‐analysed ion kinetic energy spectrometry experiments carried out on the molecular ions and major fragment ions. The spectra are characterized by a loss of carbon monoxide from the molecular ion of each compound, a process which is accompanied by migration of the aryl group.

  DOI：

  10.1002/oms.1210240918

文献信息

• Fragmentation of enamides derived from 6,7-dimethoxy-4-methyl-2H-1,3-benzothiazin and 3,4-dihydro-6,7-dimethoxy-1-methylixopuinoline
  作者：Jian Wang、Richard W. Smith、Lajos Fodor、David B. Macleant

  DOI：10.1002/oms.1210240918

  日期：1989.9

  AbstractThe electron impact mass spectra of several enamides have been examined. The enamides were prepared by reaction of aroyl halides with 6,7‐dimethoxy‐4‐methyl‐1,3‐benzothiazin, and with 3,4‐dihydro‐6,7‐dimethoxy‐l‐methylisoquinoline. The fragmentation pathways that have been proposed are supported by ion composition determinations and by mass‐analysed ion kinetic energy spectrometry experiments carried out on the molecular ions and major fragment ions. The spectra are characterized by a loss of carbon monoxide from the molecular ion of each compound, a process which is accompanied by migration of the aryl group.