2,4-二氯苯基硫代氯甲酸酯 | 2812-86-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-二氯苯基硫代氯甲酸酯
• 英文名称: O-2,4-dichlorophenyl chloridothiocarbonoate
• 英文别名: 2,4-dichlorophenyl chlorothioformate；Thiokohlensaeure-O-(2,4-dichlor-phenylester)-chlorid；O-(2,4-dichlorophenyl) chloromethanethioate
• CAS: 2812-86-4
• 化学式: C₇H₃Cl₃OS
• 分子量: 241.525
• InChiKey: FISIMXSKNBGWFC-UHFFFAOYSA-N

物化性质

• 沸点：
  135-137 °C(Press: 11 Torr)
• 密度：
  1.571±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二氯苯基硫代氯甲酸酯 、 硝苯酚 在 sodium hydroxide 作用下， 反应 1.0h， 以80%的产率得到O-(2,4-dichlorophenyl) O-(2-nitrophenyl) thiocarbonate
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n
• 作为产物：
  描述：

  硫光气 、 2,4-二氯酚 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以95%的产率得到2,4-二氯苯基硫代氯甲酸酯
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n

文献信息

• Toward the Synthesis of the Rare <i>N</i>-(Trifluoromethyl)amides and the <i>N</i>-(Difluoromethylene)-<i>N</i>-(trifluoromethyl)amines [RN(CF₃)CF₂R′] Using BrF₃
  作者：Youlia Hagooly、Julia Gatenyo、Aviv Hagooly、Shlomo Rozen

  DOI：10.1021/jo901560b

  日期：2009.11.20

  N-(trifluoromethyl)amides along with aromatic N-(difluoromethylene)-N-(trifluoromethyl)amine derivatives has been developed. The starting materials are the easily available isothiocyanates, and the fluorinating reagent is the commercially available bromine trifluoride. The reaction is performed under mild conditions, and the fluorinated amides and amines are produced in moderate to high yields.

  已经开发了多种不同的脂族，芳族和杂环N-（三氟甲基）酰胺与芳族N-（二氟亚甲基）-N-（三氟甲基）胺衍生物的合成。起始原料是易得的异硫氰酸酯，氟化试剂是可商购的三氟化溴。该反应在温和的条件下进行，并且氟化酰胺和胺的产率中等至高。