6-(4-chlorophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine 4,4-dioxide | 58010-41-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(4-chlorophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine 4,4-dioxide
• 英文别名: 6-(4-chlorophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine-4,4-dioxide；2-trichloromethyl-6-(4-chlorophenyl)-1,4,3,5-oxathiadiazine-4,4-dioxide；2-(4-chloro-phenyl)-6-trichloromethyl-[1,4,3,5]oxathiadiazine 4,4-dioxide；(IIIc)；2-(4-chlorophenyl)-6-(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide
• CAS: 58010-41-6
• 化学式: C₉H₄Cl₄N₂O₃S
• 分子量: 362.02
• InChiKey: FJKHFVGKNYKQOM-UHFFFAOYSA-N

物化性质

• 沸点：
  393.3±52.0 °C(Predicted)
• 密度：
  1.81±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 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：

  6-(4-chlorophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine 4,4-dioxide 、 三氯乙腈 以 苯 为溶剂， 反应 9.0h， 以94%的产率得到2,6-Bis(trichloromethyl)-1,4,3,5-oxathiadiazine 4,4-dioxide
  参考文献：
  名称：

  摘要：

  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.

  DOI：

  10.1023/a:1020363826262
• 作为产物：
  描述：

  6-(4-nitrophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine 4,4-dioxide 、 对氯苯甲腈 以 苯 为溶剂， 反应 7.0h， 以96%的产率得到6-(4-chlorophenyl)-2-trichloromethyl-1,4,3,5-oxathiadiazine 4,4-dioxide
  参考文献：
  名称：

  摘要：

  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.

  DOI：

  10.1023/a:1020363826262

文献信息

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

  DOI：——

  日期：——
• Michurin; Utkina; Zakharov, Russian Journal of Organic Chemistry, 2000, vol. 36, # 10, p. 1523 - 1528
  作者：Michurin、Utkina、Zakharov、Fukin、Shishulina

  DOI：——

  日期：——
• BODRIKOV I. V.; MICHURIN A. A.; KRASNOV V. L., ZH. ORGAN. XIMII <ZORK-AE>, 1975, 11, HO 10, 2217
  作者：BODRIKOV I. V.、 MICHURIN A. A.、 KRASNOV V. L.

  DOI：——

  日期：——