2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 1,1-dioxide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 1,1-dioxide
• 英文别名: 2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide；2-methyl-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
• 化学式: C₁₀H₁₁NO₃S
• 分子量: 225.268
• InChiKey: OGJGFZAXQHLOLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 在 二甲基二环氧乙烷 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 1,1-dioxide 、 cis-2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 1-oxide 、 trans-2,3-dihydro-2-methyl-1,5-benzothiazepin-4(5H)-one 1-oxide
  参考文献：
  名称：

  Oxazepines and Thiazepines, 36. Diastereoselective Sulfoxidation of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-ones by Dimethyldioxirane

  摘要：

  The highly chemoselective dimethyldioxirane oxidation of 2-substituted 2,3-dihydro-1,5-benzothiazepin-4(5H)-one (1) allows the synthesis of the corresponding sulfoxides (2) or sulfones (3) in good yields. The relative stereochemistry of the sulfoxides has been unequivocally determined by X-Ray and NMR methods. The high trans diastereoselectivity can be explained on the basis of steric control.

  DOI：

  10.3987/com-98-8353

文献信息

• Oxazepines and Thiazepines, 36. Diastereoselective Sulfoxidation of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-ones by Dimethyldioxirane
  作者：Tamás Patonay、Waldemar Adam、József Jekö、Katalin E. Kövér、Albert Lévai、Márta Németh、Karl Peters

  DOI：10.3987/com-98-8353

  日期：——

  The highly chemoselective dimethyldioxirane oxidation of 2-substituted 2,3-dihydro-1,5-benzothiazepin-4(5H)-one (1) allows the synthesis of the corresponding sulfoxides (2) or sulfones (3) in good yields. The relative stereochemistry of the sulfoxides has been unequivocally determined by X-Ray and NMR methods. The high trans diastereoselectivity can be explained on the basis of steric control.