(E)-3-(2,5-difluorophenyl)-1-phenylprop-2-en-1-one | 1354382-11-8

• 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: (E)-3-(2,5-difluorophenyl)-1-phenylprop-2-en-1-one
• 英文别名: 3-(2,5-difluorophenyl)-1-pnenyl-(2E)-2-propen-1-one；3-(2,5-difluorophenyl)-1-phenyl-(2E)-2-propen-1-one；(E)-3-(2,5-difluoro-phenyl)-1-phenyl-propenone
• CAS: 1354382-11-8
• 化学式: C₁₅H₁₀F₂O
• 分子量: 244.241
• InChiKey: JCBVABPXVRGINZ-RMKNXTFCSA-N

物化性质

• 沸点：
  344.0±42.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(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

• 作为反应物：
  描述：

  (E)-3-(2,5-difluorophenyl)-1-phenylprop-2-en-1-one 、 N-苯甲酰甲基溴吡啶 在 ammonium acetate 、 氧气 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 4-(2,5-difluoro-phenyl)-2,6-diphenyl-pyridine
  参考文献：
  名称：

  WO2006/67976

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(4-nitrophenyl)-3-amino-3-(2,5-difluorophenyl)-1-phenylprop-1-yne 在 montmorillonite clay doped with CuCl 、 air 作用下， 反应 0.05h， 以37%的产率得到(E)-3-(2,5-difluorophenyl)-1-phenylprop-2-en-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
• Organic Compound, Charge-Transporting Material, and Organic Electroluminescent Element
  申请人：Yabe Masayoshi

  公开号：US20080145699A1

  公开（公告）日：2008-06-19

  There are provided an organic having both excellent hole transporting property and satisfactory electron transporting and showing excellent durability against electric oxidation/reduction and a high triplet excitation level, and a charge transporting material and an organic electroluminescent device each using the organic compound. The organic compound is represented by following Formula (I): wherein Cz 1 and Cz 2 each represent a carbazolyl group; Z represents a direct bond or an arbitrary linkage group enabling the conjugation of nitrogen atoms in the carbazole rings of Cz 1 and Cz 2 with each other; and Q represents a direct bond connecting to “G” in following Formula (II): wherein Ring B 1 represents a six-membered aromatic heterocyclic ring having “n” nitrogen atom(s) as hetero atom(s); “n” represents an integer of from 1 to 3; G represents a direct bond or an arbitrary linkage group connecting to Q when G connects to Q; Gs connect to carbon atoms at the ortho-position and the para-position with respect to nitrogen atom(s) in Ring B 1 ; G represents an aromatic hydrocarbon group when G does not connect to Q; and “m” represents an integer of from 3 to 5.

  提供了一种具有优异的空穴传输性能和令人满意的电子传输性能，并且表现出对电氧化/还原的优异耐久性和高三重激发水平的有机化合物，以及使用该有机化合物的电荷传输材料和有机电致发光器件。该有机化合物由以下式（I）表示：其中，Cz1和Cz2分别表示一个咔唑基团；Z表示直接键或任意连接基团，使Cz1和Cz2的咔唑环中的氮原子共轭连接在一起；Q表示连接到以下式（II）中的“G”的直接键：其中，环B1表示具有“n”个氮原子作为杂原子的六元芳香杂环；“n”表示从1到3的整数；G表示直接键或任意连接基团，当G连接到Q时；Gs连接到环B1中的氮原子的邻位和对位的碳原子上；当G未连接到Q时，G表示芳香烃基团；“m”表示从3到5的整数。
• ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Pioneer Corporation

  公开号：EP1829871B1

  公开（公告）日：2015-08-12
• US8324403B2
  申请人：——

  公开号：US8324403B2

  公开（公告）日：2012-12-04
• 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.