3-(2,3-difluorophenyl)-1-phenyl-(2E)-2-propen-1-one | 1354382-07-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(2,3-difluorophenyl)-1-phenyl-(2E)-2-propen-1-one
• 英文别名: 3-(2,3-difluorophenyl)-1-pnenyl-(2E)-2-propen-1-one；(E)-3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
• CAS: 1354382-07-2
• 化学式: C₁₅H₁₀F₂O
• 分子量: 244.241
• InChiKey: AITUXTUQJSKYHZ-MDZDMXLPSA-N

物化性质

• 沸点：
  346.2±42.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(4-nitrophenyl)-3-amino-3-(2,3-difluorophenyl)-1-phenylprop-1-yne 在 montmorillonite clay doped with CuCl 、 air 作用下， 反应 0.05h， 以67%的产率得到3-(2,3-difluorophenyl)-1-phenyl-(2E)-2-propen-1-one
  参考文献：
  名称：

  Microwave promoted one-pot preparation of fluorinated propargylamines and their chemical transformation

  摘要：

  A series of fluorinated propargylamines have been synthesized from the one-pot three-component reaction of fluorobenzaldehyde, aniline and phenylacetylene under solvent-free and microwave irradiation. The fluorinated propargylamines were then further transformed to chalcones or quinoline derivatives respectively depending on the different structures of propargylamines. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.08.005

文献信息

• Biological interactions of fluorinated chalcones: Stimulation of tyrosinase activity and binding to bovine serum albumin
  作者：Otávio Augusto Chaves、Leonardo Santos de Barros、Márcia C.C. de Oliveira、Carlos Mauricio R. Sant’Anna、Aurélio B.B. Ferreira、Francisco Assis da Silva、Dari Cesarin-Sobrinho、José Carlos Netto-Ferreira

  DOI：10.1016/j.jfluchem.2017.04.007

  日期：2017.7

  chalcone and BSA. On the other hand, for the fluorinated derivatives CH3F, CH4F and CH2356F Ka = 104 M−1, which indicates that the presence of fluorine atoms on the chalcone structure decreases the binding ability. The thermodynamic parameters ΔH° and ΔS° show that the BSA:CH association is enthalpically and entropically driven, whereas for fluorinated derivatives it is only entropically driven. The negative

  评估PBS缓冲溶液（pH =）中CH，CH3F，CH4F，CH23F，CH25F，CH35F和CH2356F的酪氨酸酶活性以及CH和氟化查耳酮CH3F，CH4F和CH2356F与牛血清白蛋白（BSA）的相互作用7.4）分别在288 K，293 K和298 K上使用光谱技术，ζ电位和计算方法进行了研究。酪氨酸酶活性通过UV-vis的氧化法测定升-DOPA在酶和查耳酮存在下：未取代的查尔酮抑制酪氨酸酶活性，而其氟化衍生物显示相反的作用，其样品CH2356F显示出最高的活化百分比。CH，CH3F，CH4F和CH2356F对BSA荧光的猝灭研究表明，静态和动态猝灭机制相结合。此外，FRET机制的发生可能性很高。对于CH，结合常数（K a）在10 5  M -1的范围内，表明查耳酮和BSA之间的中等结合。在另一方面，对于氟化衍生物CH3F，CH4F和CH2356F ķ一个 = 10 4 中号-1，这
• Microwave promoted one-pot preparation of fluorinated propargylamines and their chemical transformation
  作者：Xiao-Lei Chen、Jian-Min Zhang、Wen-Li Shang、Bei-Qiong Lu、Jian-An Jin

  DOI：10.1016/j.jfluchem.2011.08.005

  日期：2012.1

  A series of fluorinated propargylamines have been synthesized from the one-pot three-component reaction of fluorobenzaldehyde, aniline and phenylacetylene under solvent-free and microwave irradiation. The fluorinated propargylamines were then further transformed to chalcones or quinoline derivatives respectively depending on the different structures of propargylamines. (C) 2011 Elsevier B.V. All rights reserved.