2,6-diiodo-4-(trifluoromethylsulfonyl)thiomorpholine 1,1-dioxide | 1515902-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 2,6-diiodo-4-(trifluoromethylsulfonyl)thiomorpholine 1,1-dioxide
• 英文别名: 2,6-Diiodo-4-[(trifluoromethyl) sulfonyl]thiomorpholine 1,1-dioxide；2,6-diiodo-4-(trifluoromethylsulfonyl)-1,4-thiazinane 1,1-dioxide
• CAS: 1515902-87-0
• 化学式: C₅H₆F₃I₂NO₄S₂
• 分子量: 519.043
• InChiKey: KCWUCWRGXIAUBE-UHFFFAOYSA-N

物化性质

• 熔点：
  275 °C
• 沸点：
  500.7±60.0 °C(predicted)
• 密度：
  2.64±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  二乙烯基砜 、 三氟甲磺酰胺 在 次氯酸叔丁酯 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以33.333%的产率得到
  参考文献：
  名称：

  Reaction of trifluoromethanesulfonamide with heterodienes under oxidation conditions

  摘要：

  Reactions of trifluoromethanesulfonamide with divinyl sulfone, divinyl sulfoxide, divinyl sulfide, diphenyl sulfide, vinyl allyl and diallyl ethers was investigated in the presence of oxidation system t-BuOCl + NaI. The reaction with divinyl sulfone afforded a product of 1,5-heterocyclization, 2,6-diiodo-4-[(trifluoromethyl) sulfonyl]thiomorpholine 1,1-dioxide. The same product was obtained in the reaction with divinyl sulfoxide apparently due to its preliminary oxidation to sulfone. In reactions with divinyl sulfide and unsaturated ethers only the oxidation of substrates was observed accompanied with strong tarring; the products of a reaction with trifluoromethanesulfonamide were absent. With diphenyl sulfide a product was formed resulting from the oxidation at the sulfur atom [S(II) -> S(IV)], N-(diphenyl-lambda(4)-sulfanylidene)trifluoromethanesulfonamide.

  DOI：

  10.1134/s107042801311002x