3-chloro-N-(5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-4-methyl-thiazol-2-yl)-benzamide | 951132-66-4

• 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: 3-chloro-N-(5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-4-methyl-thiazol-2-yl)-benzamide
• 英文别名: 3-chloro-N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]benzamide
• CAS: 951132-66-4
• 化学式: C₁₄H₉ClF₆N₂OS
• 分子量: 402.748
• InChiKey: HRHIOQYUAGLCEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylthiazol-2-amine 、 3-氯苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以73%的产率得到3-chloro-N-(5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-4-methyl-thiazol-2-yl)-benzamide
  参考文献：
  名称：

  Synthesis and photosynthetic inhibition activity of substituted 5-(bis-trifluoromethyl)methyl)-2-aminothiazoles

  摘要：

  The reaction of 5,5,5-trifluoro-4-trifluoromethyl-pent-3-en-2-one with aminothiocarbonyls yielded aminothiourea precursors which readily cyclised to the corresponding thiazole derivatives, 5-(bis-trifluoromethyl)methyl)-2-aminothiazoles. The inhibitory potency of photosystem II activity of these thiazoles was evaluated using fluorescence measurement techniques. Two of the compounds showed a good activity in comparison with the reference compound DCMU, 3-(3,4-dichlorophenol)-1,1-dimethylurea. Calculation of lipophilicity according to Rekker and Frey, and a corresponding experimental determination are reported. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.07.007

文献信息

• Synthesis and photosynthetic inhibition activity of substituted 5-(bis-trifluoromethyl)methyl)-2-aminothiazoles
  作者：Cécile Boyer、Giovanni Finazzi、Philippe Laurent、Alois Haas、Hubert Blancou

  DOI：10.1016/j.jfluchem.2006.07.007

  日期：2006.11

  The reaction of 5,5,5-trifluoro-4-trifluoromethyl-pent-3-en-2-one with aminothiocarbonyls yielded aminothiourea precursors which readily cyclised to the corresponding thiazole derivatives, 5-(bis-trifluoromethyl)methyl)-2-aminothiazoles. The inhibitory potency of photosystem II activity of these thiazoles was evaluated using fluorescence measurement techniques. Two of the compounds showed a good activity in comparison with the reference compound DCMU, 3-(3,4-dichlorophenol)-1,1-dimethylurea. Calculation of lipophilicity according to Rekker and Frey, and a corresponding experimental determination are reported. (c) 2006 Elsevier B.V. All rights reserved.