2-(2,4-dichlorophenyl)acrylate | 108664-84-2

• 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: 2-(2,4-dichlorophenyl)acrylate
• 英文别名: 2,4-dichlorophenylacrylic acid；2-(2,4-dichlorophenyl)prop-2-enoic acid
• CAS: 108664-84-2
• 化学式: C₉H₆Cl₂O₂
• 分子量: 217.051
• InChiKey: RDUJHVUZQWOKKY-UHFFFAOYSA-N

物化性质

• 沸点：
  344.7±27.0 °C(Predicted)
• 密度：
  1.411±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2,4-dichlorophenyl)acrylate 在 氯化亚砜 作用下， 反应 0.5h， 生成 2-(2,4-Dichloro-phenyl)-acryloyl chloride
  参考文献：
  名称：

  Synthesis and antifungal activity of a series of novel 1,2-disubstituted propenones

  摘要：

  To find an antifungal agent other than those of the imidazole and triazole series, a new class of 1,2-disubstituted propenones I and II was prepared and tested for antifungal activity. Comparison of the structure-activity relationships showed that the conjugated structure of carbonyl and exomethylene groups in I and II plays an important role in potent antifungal activity. However, it is noteworthy that compounds 53, 54, and 56, which have a hydroxymethyl or methoxymethyl group instead of an exo-methylene group in I, also showed potent activity. Although many compounds exhibited strong antifungal activity in vitro, none showed activity in vivo of oral efficacy against subacute systemic candidiasis in mice.

  DOI：

  10.1021/jm00391a037
• 作为产物：
  描述：

  2,4-二氯苯乙酸甲酯 在 水 、 四丁基硫酸氢铵 、 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 15.0h， 生成 2-(2,4-dichlorophenyl)acrylate
  参考文献：
  名称：

  钴催化乙烯基 C–H 添加到甲醛：从丙烯酸和 HCHO 合成丁烯内酯

  摘要：

  描述了用甲醛对丙烯酸进行羧基辅助的 C-H 官能化以得到丁烯内酯。这是首次通过钴催化的 C-H 活化将惰性乙烯基 C-H 键添加到甲醛中。与相关的 Rh 或 Ir 催化剂相比，观察到钴物种的独特反应性。γ-羟甲基化丁烯内酯是通过Na 2 CO 3在一锅催化反应后处理制备的。

  DOI：

  10.1021/acs.orglett.1c03095

文献信息

• Design, synthesis and biological evaluation of pyrido[2,3-d]pyrimidin-7-(8H)-ones as HCV inhibitors
  作者：Marta Camarasa、Raimon Puig de la Bellacasa、Àlex L. González、Raül Ondoño、Roger Estrada、Sandra Franco、Roger Badia、José Esté、Miguel Ángel Martínez、Jordi Teixidó、Bonaventura Clotet、José I. Borrell

  DOI：10.1016/j.ejmech.2016.03.055

  日期：2016.6

  design and selection of a combinatorial library of pyrido[2,3-d]pyrimidin-7(8H)-ones (4) has allowed the synthesis of 121 compounds, using known and new synthetic methodologies, and the evaluation of the inhibitory activity against hepatitis C virus (HCV) genotype 1b replicon. Among these compounds, 214,10} and 242,10} presented very high activities [EC50 = 0.027 μM (CC50 = 5.3 μM) and EC50 = 0.034 μM

  吡啶并[2,3 - d ]嘧啶-7（8 H）-ones（4）的组合文库的设计和选择已允许使用已知的和新的合成方法合成121种化合物，并对其抑制性进行评估抗丙型肝炎病毒（HCV）基因型1b复制子的活性。在这些化合物中，21 4,10 }和24 2,10 }表现出非常高的活性[分别为EC 50  = 0.027μM（CC 50  = 5.3μM）和EC 50  = 0.034μM（CC 50  = 13.5μM）]和高选择性指数196和397。这些值类似于EC 50索非布韦（2）（0.048μM ）使用相似的方法学方法和相同的病毒亚型报道。21 4,10 }和24 2,10 }是通过比sofosbuvir短的合成路线而获得的，而24 2,10 }是非手性的，与sofosbuvir具有4个立体生成中心相反。计算机研究表明21 4,10 }和24 2,10 }通过变构位点结合抑制NS5B聚合酶。
• Synthesis, crystal structure and theoretical calculation of triphenyltin (IV) polymer based on 2,4-dichlorophenylacrylic acid
  作者：Shuang Han、He Wang、Jiajun Wang、Linan Dun、Chuanbi Li、Chunling Liu

  DOI：10.1080/24701556.2019.1703747

  日期：2020.3.3

  4-dichlorophenylacrylic acid (HL) and triphenyltin (IV) hydroxide to yield the complex [(Ph3Sn)L]n (1). The complex has been characterized by elemental analysis, infrared spectrum and single crystal X-ray diffraction. The structural analysis shows that complex 1 possesses 1 D chain structure in which every tin atom is five coordinated. The 1 D chains linked by C(66)-H(66)·Cl(2) hydrogen bonds to aggregate

  摘要 2,4-二氯苯基丙烯酸(HL)与氢氧化三苯基锡(IV)反应生成配合物[(Ph3Sn)L]n(1)。该配合物已通过元素分析、红外光谱和单晶 X 射线衍射进行了表征。结构分析表明，配合物1具有一维链结构，其中每一个锡原子都是五个配位的。由C(66)-H(66)·Cl(2)氢键连接的一维链在二维框架中聚合。此外，还研究了 PXRD、TG 和发光性能。使用 Gaussian09 程序进行量子化学计算。
• Triazole and imidazole compounds, process for their preparation and their use as fungicides and plant growth regulators, and intermediates for their synthesis
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0099165A1

  公开（公告）日：1984-01-25

  wherein R1 is hydrogen, alkyl, cycloalkyl, heterocyclyl, or aryl or aralkyl both optionally substituted with halogen, nitro, alkyl, haloalkyl, alkoxy, phenyl, phenoxy, halophenyl, or haloalkoxy; R2 is hydrogen, alkyl, alkenyl, alkynyl, aralkyl or acyl; R3 and R4, which may be the same or different, are hydrogen, alkyl, alkenyl, or optionally substituted aryl; W is N or CH; X is -CO2R5, -CONR6R7, -CN, -CHO, 4,4-dimethyl-Δ2-oxazolin-2-yl, or 4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl; R5, R6 and R7, which may be the same or different, are hydrogen, optionally substituted alkyl, optionally substituted aralkyl, alkenyl, or optionally substituted aryl; and their acid addition salts and metal complexes. The compounds have fungicidal activity and plant growth regulating activity.

  其中 R1 是氢、烷基、环烷基、杂环烷基或芳基或芳烷基，两者可任选被卤素、硝基、烷基、卤代烷基、烷氧基、苯基、苯氧基、卤代苯基或卤代烷氧基取代；R2 是氢、烷基、烯基、炔基、芳烷基或酰基；R3 和 R4 可以相同或不同，是氢、烷基、烯基或任选取代的芳基；W是N或CH；X是-CO2R5、-CONR6R7、-CN、-CHO、4,4-二甲基-Δ2-恶唑啉-2-基或4,4,6-三甲基-5,6-二氢-1,3-恶嗪-2-基；R5、R6和R7可以相同或不同，是氢、任选取代的烷基、任选取代的芳基、烯基或任选取代的芳基；以及它们的酸加成盐和金属络合物。这些化合物具有杀菌活性和植物生长调节活性。
• Process for intercalating natural or szynthetic clays with block or comb copolymers
  申请人：Muhlebach Andreas

  公开号：US20060160940A1

  公开（公告）日：2006-07-20

  The instant invention relates to a process for manufacturing nanoparticles by intercalating and/or exfoliating natural or synthetic clays using block or comb copolymers having one cationic block and at least one non polar block, which are prepared by controlled free radical polymerization (CFRP). The invention also relates to improved nanocomposite compositions containing nanoparticles produced by this process and to the use of these nanocomposite compositions as, for example in, coatings, sealants, caulks, adhesives and as plastic additives.

  本发明涉及一种通过插层和/或剥离天然或合成粘土来制造纳米颗粒的工艺，使用的嵌段或梳状共聚物具有一个阳离子嵌段和至少一个非极性嵌段，这些嵌段或梳状共聚物是通过受控自由基聚合（CFRP）制备的。本发明还涉及改进的纳米复合组合物，其中含有通过该工艺制备的纳米颗粒，以及这些纳米复合组合物在涂料、密封剂、填缝剂、粘合剂和塑料添加剂等方面的用途。
• Light stabilising polymer dispersants in pigment dispersions
  申请人：Vogel Thomas

  公开号：US20060229407A1

  公开（公告）日：2006-10-12

  The present invention relates to a novel polymerisate, which is prepared by applying the method of atom transfer radical polymerisation. The novel polymerisate is useful for stabilising a composition of matter susceptible to degradation induced by light, heat or oxidation. The novel polymerisate is also useful as a dispersant in a pigment dispersion containing dispersible inorganic or organic pigment particles. Further embodiments of the invention relate to the process for preparing the novel polymerisate by applying the method of controlled or “living” polymerisation and to the use of the pigment dispersion for preparing inks, colour filters, coatings, images, lacquers and others.

  本发明涉及一种新型聚合酸盐，它是通过原子转移自由基聚合方法制备的。这种新型聚合异酸酯可用于稳定易受光、热或氧化作用影响而降解的物质成分。这种新型聚合异构体还可用作颜料分散体中的分散剂，该颜料分散体中含有可分散的无机或有机颜料颗粒。本发明的其他实施方案涉及通过应用受控聚合或 "活 "聚合方法制备新型聚合酸盐的工艺，以及颜料分散体在制备油墨、滤色片、涂料、图像、油漆等方面的用途。