1.4-Bis-(β-acetyl-vinyl)-benzol | 13505-46-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1.4-Bis-(β-acetyl-vinyl)-benzol
• 英文别名: 1,4-bis-(3-oxo-but-1-enyl)-benzene；1,4-Bis-(3-oxo-but-1-enyl)-benzol；1³.4³-Dioxo-1.4-dibutenyl-benzol；1,4-bis(but-1-ene-3-one-1-yl)benzene；4,4'-p-Phenylenedi-3-buten-2-one；4-[4-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
• CAS: 13505-46-9
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: HMMREUHYFATSFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  262-264 °C (decomp)
• 沸点：
  409.7±33.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1.4-Bis-(β-acetyl-vinyl)-benzol 在 Lindlar's catalyst 氢气 作用下， 以 乙醇 为溶剂， 生成 4,4'-p-phenylene-bis(2-butanone)
  参考文献：
  名称：

  Highly unsaturated polymers Communication 17. Synthesis of mono- and di-1-buten-3-ynyl derivatives of benzene and their oxidative condensation

  摘要：

  DOI：

  10.1007/bf00849389
• 作为产物：
  描述：

  对苯二甲醛 、 丙酮 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 1.4-Bis-(β-acetyl-vinyl)-benzol
  参考文献：
  名称：

  Dimeric cyclohexane-1,3-dione oximes inhibit wheat acetyl-CoA carboxylase and show anti-malarial activity

  摘要：

  A series of dimeric 1,3-cyclohexanedione oxime ethers were synthesized and found to have significant antiplasmodial activity with IC50's in the range 3-12 mu M. The most active dimer was tested in the Plasmodium berghei mouse model of malaria and at a dose of 48 mg/kg gave a 45% reduction in parasitaemia. Several commercial herbicides, all known to be inhibitors of maize acetyl-CoA carboxylase, were also tested for antimalarial activity, but were essentially inactive with the exception of butroxydim which gave an IC50 of 10 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.007

文献信息

• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011060000A1

  公开（公告）日：2011-05-19

  This disclosure concerns novel compounds of Formula (I) or as defined in the specification and compositions comprising such novel compounds. These compounds are useful antiviral agents, especially in inhibiting the function of the NS5A protein encoded by Hepatitis C virus (HCV). Thus, the disclosure also concerns a method of treating HCV related diseases or conditions by use of these novel compounds or a composition comprising such novel compounds.

  这项披露涉及到公式（I）中定义的新化合物或规范中定义的化合物，以及包含这些新化合物的组合物。这些化合物是有用的抗病毒剂，特别是在抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白的功能方面。因此，该披露还涉及通过使用这些新化合物或包含这些新化合物的组合物来治疗HCV相关疾病或症状的方法。
• Regioselective Formal [4 + 2] Cycloadditions of Enaminones with Diazocarbonyls through Rh^III-Catalyzed C–H Bond Functionalization
  作者：Shuguang Zhou、Bi-Wei Yan、Shuai-Xin Fan、Jie-Sheng Tian、Teck-Peng Loh

  DOI：10.1021/acs.orglett.8b01540

  日期：2018.7.6

  A regioselective formal [4 + 2] cycloaddition for the assembly of highly functionalized benzene rings was successfully developed. In this reaction, olefinic C–H bond functionalization/cyclization cascade reaction followed by rearomatization led to the desired molecules in one step under mild reaction conditions. This protocol also displays a broad substrate scope and good tolerance to a wide range

  成功开发了用于高官能化苯环组装的区域选择性形式[4 + 2]环加成反应。在该反应中，烯烃C–H键官能化/环化级联反应，然后重新进行麦芽糖化，可在温和的反应条件下一步生成所需的分子。该协议还显示了广泛的底物范围和对多种官能团的良好耐受性。另外，还证明了用于高度共轭多苯的合成和天然产物多样化的潜在效用。
• Synthesis of 4-Nitroisoxazoles via NO/NO2-Mediated Heterocyclization of Aryl-Substituted α,β-Unsaturated Ketones
  作者：Elena B. Averina、Dmitry A. Vasilenko、Kirill S. Sadovnikov、Kseniya N. Sedenkova、Anastasiya V. Kurova、Yuri K. Grishin、Tamara S. Kuznetsova、Victor B. Rybakov、Yulia A. Volkova

  DOI：10.1055/s-0039-1690053

  日期：2020.5

  A straightforward approach for the synthesis of 4-nitroisoxazoles has been developed via heterocyclization of aryl/hetaryl-substituted α,β-unsaturated ketones upon treatment with tetranitromethane-triethylamine (TNM-TEA) complex or t-BuONO. This strategy features high efficiency and wide substrate tolerance under simple reaction conditions.

  通过用四硝基甲烷-三乙胺（TNM-TE​​A）络合物或叔-BuONO处理芳基/杂芳基取代的α，β-不饱和酮进行杂环化，已开发出一种合成4-硝基异恶唑的直接方法。该策略的特点是在简单的反应条件下具有高效率和广泛的底物耐受性。
• Herbicidal bis(cyclohexane-1,3-dione)derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US04746350A1

  公开（公告）日：1988-05-24

  The invention concerns novel compounds of the formula I ##STR1## wherein: Y is selected from phenyl, furyl, thienyl and pyrrolyl rings (each optionally substituted by group X), optionally branched alkylene or alkylenethio(oxy)alkylene; X which may be the same or different are independently selected from halogen, nitro, alkyl, substituted alkyl, hydroxy, alkoxy, carboxy, alkoxycarbonyl, alkylthio, sulfamoyl, substituted sulfamoyl, amino, substituted amino and alkanoyl; R.sup.1 is selected from hydrogen, acyl and an inorganic or organic cation; R.sup.2 is selected from alkyl, substituted alkyl, alkenyl, haloalkenyl and alkynyl; R.sup.3 is selected from alkyl; and R.sup.4 is selected from hydrogen, alkyl, and alkoxycarbonyl. The compounds of the invention show herbicidal properties and plant growth regulating properties and in further embodiments the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of the compounds of formula I, compositions containing as active ingredient a compound of formula I, and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  本发明涉及公式I的新化合物：##STR1##其中：Y选自苯环、呋喃环、噻吩环和吡咯环（每个环可以选择性地被X基取代）、可选择性分支的烷基或烷基硫（氧）烷基；X可以相同也可以不同，独立地选择自卤素、硝基、烷基、取代烷基、羟基、烷氧基、羧基、烷氧羰基、烷硫基、磺酰胺基、取代磺酰胺基、氨基、取代氨基和脂肪酰基；R.sup.1选自氢、酰基和无机或有机阳离子；R.sup.2选自烷基、取代烷基、烯基、卤代烯基和炔基；R.sup.3选自烷基；R.sup.4选自氢、烷基和烷氧羰基。本发明化合物具有除草和植物生长调节性能，进一步实施方式包括提供公式I化合物的制备方法、制备公式I化合物的中间体、含有公式I化合物作为活性成分的组合物以及利用公式I化合物进行除草和植物生长调节的方法。
• Hepatitis C Virus Inhibitors
  申请人：Lavoie Rico

  公开号：US20110281910A1

  公开（公告）日：2011-11-17

  This disclosure concerns novel compounds of Formula (I) or as defined in the specification and compositions comprising such novel compounds. These compounds are useful antiviral agents, especially in inhibiting the function of the NS5A protein encoded by Hepatitis C virus (HCV). Thus, the disclosure also concerns a method of treating HCV related diseases or conditions by use of these novel compounds or a composition comprising such novel compounds.

  本公开涉及公式（I）的新化合物或如规范中定义的化合物和包含这些新化合物的组合物。这些化合物是有用的抗病毒剂，特别是在抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白的功能方面。因此，本公开还涉及使用这些新化合物或包含这些新化合物的组合物治疗HCV相关疾病或病状的方法。