1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide | 230301-02-7

• 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: 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide
• 英文别名: 1,2,3,4,4a,5-Hexahydropyrazino[2,1-c][1,4]benzothiazine 6,6-dioxide
• CAS: 230301-02-7
• 化学式: C₁₁H₁₄N₂O₂S
• 分子量: 238.31
• InChiKey: QGOABLUVRBHPFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide 在 盐酸 作用下， 以 水 、 乙腈 为溶剂， 以75%的产率得到1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide hydrochloride
  参考文献：
  名称：

  Efficient syntheses of 1,2,3,4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide

  摘要：

  Expeditious routes to 1,2,3.4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide, a methylenesulfone-constrained arylpiperazine, have been developed. The key step forms the tricyclic system in a cascade of reactions via a 1,4-addition, nitrogen alkylation, and aromatic substitution sequence. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.092
• 作为产物：
  描述：

  1-(2,3-dibromopropylsulfonyl)-2-fluorobenzene 、 乙二胺 以 乙二醇乙醚 为溶剂， 以543 mg的产率得到1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide
  参考文献：
  名称：

  Efficient syntheses of 1,2,3,4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide

  摘要：

  Expeditious routes to 1,2,3.4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide, a methylenesulfone-constrained arylpiperazine, have been developed. The key step forms the tricyclic system in a cascade of reactions via a 1,4-addition, nitrogen alkylation, and aromatic substitution sequence. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.092

文献信息

• Efficient syntheses of 1,2,3,4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide
  作者：Ronald C. Bernotas、Rebecca J. Dooley

  DOI：10.1016/j.tet.2010.01.092

  日期：2010.3

  Expeditious routes to 1,2,3.4,4a,5-hexahydro-pyrazino[2,1-c][1,4]benzothiazine-6,6-dioxide, a methylenesulfone-constrained arylpiperazine, have been developed. The key step forms the tricyclic system in a cascade of reactions via a 1,4-addition, nitrogen alkylation, and aromatic substitution sequence. (C) 2010 Elsevier Ltd. All rights reserved.