2,6-Bis(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide | 26268-55-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 2,6-Bis(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide
• 英文别名: 2,6-bis(trichloromethyl)-1,4,3,5-oxathiadiazine-4,4-dioxide；2,6-bis-trichloromethyl-[1,4,3,5]oxathiadiazine 4,4-dioxide；(IIIf)；1,4,3,5-Oxathiadiazine, 2,6-bis(trichloromethyl)-, 4,4-dioxide
• CAS: 26268-55-3
• 化学式: C₄Cl₆N₂O₃S
• 分子量: 368.84
• InChiKey: IFPDLLQLAWOBLY-UHFFFAOYSA-N

物化性质

• 沸点：
  309.1±52.0 °C(Predicted)
• 密度：
  2.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-Bis(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide 、 N-氰基二乙基胺 以 二氯甲烷 为溶剂， 反应 15.0h， 以92%的产率得到6-diethylamino-2-trichloroacetylimino-4-trichloromethyl-1,2λ⁶,3,5-oxathiadiazine 2-oxide
  参考文献：
  名称：

  Michurin; Utkina; Zakharov, Russian Journal of Organic Chemistry, 2000, vol. 36, # 10, p. 1523 - 1528

  摘要：

  DOI：
• 作为产物：
  描述：

  6-trichloromethyl-1,3,2,4,5-dioxadithiazine 2,2,4,4-tetroxide 、 三氯乙腈 生成 2,6-Bis(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide
  参考文献：
  名称：

  Bodrikov,I.V. et al., Journal of Organic Chemistry USSR (English Translation), 1975, vol. 11, p. 2247

  摘要：

  DOI：

文献信息

• Complexes of 2,6-Disubstituted 1-Oxa-4-thia-3,5-diazine 4,4-Dioxides with Symmetric Triazines as Supramolecular Systems. Preparation and Properties
  作者：A. V. Shishulina、E. N. Sazhina、A. A. Michurin

  DOI：10.1007/s11178-005-0159-1

  日期：2005.2

  Reactions of 2,6-disubstituted 1-oxa-4-thia-3,5-diazine 4,4-dioxides with substituted cyanamides in aromatic solvents (benzene, toluene, chlorobenzene, benzonitrile) furnished stable complexes including 1-oxa-4-thia-3,5-diazine4,4-dioxide, symmetric triazine, and solvent (or no solvent) in a ratio 2 : 2 : 1. The molecules involved in the complexes are joined by intramolecular forces into a unified energetically favorable supramolecular system.

  在芳香族溶剂（苯、甲苯、氯苯、苯甲腈）中，2,6-二取代 1-氧杂-4-噻-3,5-二嗪-4,4-二氧化物与取代氰酰胺发生反应，生成了稳定的复合物，其中包括 1-氧杂-4-噻-3,5-二嗪-4,4-二氧化物、对称三嗪和溶剂（或无溶剂），比例为 2 : 2 : 1。络合物中的分子通过分子内力结合成一个统一的、对能量有利的超分子体系。
• Michurin; Zakharov; Shishulina, Russian Journal of Organic Chemistry, 1999, vol. 35, # 1, p. 157 - 157
  作者：Michurin、Zakharov、Shishulina、Utkina、Fukin

  DOI：——

  日期：——
• ——
  作者：E. N. Utkina、A. A. Michurin、A. V. Shishulina

  DOI：10.1023/a:1020363826262

  日期：——

  Reactions of 2,6-disubstituted 1,4,3,5-octathiadiazine-4,4-dioxides with cyano-containing compounds (nitriles, thiocyanates, NN-disubstituted cyanamides) proceeding with replacement of imine fragment in dioxide by corresponding fragment of cyanide were investigated. The limits of the reaction were revealed determined by electronic effects of substituents R-1 and R-2 in dioxide and R-3 in cyanide. Transimination occurred in dioxides with strong electron-withdrawing substituents R-1 (CCl3, CBr3, C6F5) and weak acceptor or donor substituents R-2 (4-NO2C6H4, 4-ClC6H4, CH3) under the action of compounds (RC)-C-3=N with cyano groups of relatively high nucleophilicity (R-3 = 4-ClC6H4, C6H5, (CH3)(2)CHS, piperidino, morpholino, diethylamino), on the one hand, and with strong electron-withdrawing substituents R-3 (CCl3) on the other hand.