1-(4-溴苯基)-1,2-丙二酮 | 10557-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-溴苯基)-1,2-丙二酮
• 英文名称: 1-(4-bromophenyl)-1,2-propanedione
• 英文别名: 1-(4-bromophenyl)propane-1,2-dione；1-(4-bromo-phenyl)-propane-1,2-dione；1-(4-Brom-phenyl)-propan-1,2-dion；Methyl-(4-brom-phenyl)-diketon；Methyl-(4-brom-phenyl)-glyoxal；4'-bromoacetonphenone
• CAS: 10557-20-7
• 化学式: C₉H₇BrO₂
• 分子量: 227.057
• InChiKey: RDZGCSCMCXKNLQ-UHFFFAOYSA-N

物化性质

• 熔点：
  48 °C
• 沸点：
  295.1±23.0 °C(Predicted)
• 密度：
  1.505±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 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-溴苯基)-1,2-丙二酮 在 selenium(IV) oxide 作用下， 生成 二乙二醛对溴苯
  参考文献：
  名称：

  环己基异氰化物、乙炔二羧酸二烷基酯和 1-芳基-2-烯-3-乙酰-1,4-二酮之间的反应。一锅法合成高度官能化的 5-环己基亚氨基-2,5-二氢呋喃

  摘要：

  二氢呋喃是有机合成中的重要中间体，也是合成多种天然产物的重要原料。描述了通过环己基异氰化物、乙炔二羧酸二烷基酯和 1-芳基-2-烯-3-乙酰-1,4-二酮的多组分反应轻松合成高度官能化的 5cyclohexylimino-2,5-dihydrofuran 衍生物。

  DOI：

  10.24820/ark.5550190.p010.628
• 作为产物：
  描述：

  1-(4-bromo-phenyl)-2,3-dihydroxy-propan-1-one 在 硫酸 作用下， 生成 1-(4-溴苯基)-1,2-丙二酮
  参考文献：
  名称：

  Krueger, Chemische Berichte, 1956, vol. 89, p. 1016,1018

  摘要：

  DOI：

文献信息

• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Cao Jianguo

  公开号：US20120071516A1

  公开（公告）日：2012-03-22

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。
• Gold-catalyzed oxidation of arylallenes: Synthesis of quinoxalines and benzimidazoles
  作者：Dong-Mei Cui、Dan-Wen Zhuang、Ying Chen、Chen Zhang

  DOI：10.3762/bjoc.7.98

  日期：——

  A gold-catalyzed oxidation of arylallenes to form alpha-diketones and aldehydes in good yields is presented. Further directed synthesis of quinoxalines and benzimidazoles, via the condensation of the resulting alpha-diketones and aldehydes with benzene-1,2-diamine, was achieved in high yields.

  金催化氧化芳基丙二烯以良好的产率形成α-二酮和醛。通过所得α-二酮和醛与苯-1,2-二胺的缩合，以高收率实现了喹喔啉和苯并咪唑的进一步定向合成。
• Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof
  申请人：Sheppeck James

  公开号：US20060154973A1

  公开（公告）日：2006-07-13

  The present invention relates to new class of non-steroidal compounds which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory- and immune-associated diseases, and have the structure including all stereoisomers thereof, tautomers thereof, or a prodrug thereof, or a pharmaceutically acceptable salt thereof, wherein X is selected from N, O, and S; Y is N or CR 6 ; Z is a ring; and where R, R a , R b , R c , R d , R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  本发明涉及一类新的非甾体化合物，用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫相关疾病，并具有结构，包括其所有立体异构体、互变异构体或前药，或其药用可接受盐，其中X选自N、O和S；Y为N或CR6；Z为一个环；R、Ra、Rb、Rc、Rd、R1、R2、R3、R4和R5如本文所定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。
• N-Heterocyclic Carbene-Catalyzed Umpolung of β,γ-Unsaturated 1,2-Diketones
  作者：Jian Liu、Deb Kumar Das、Guoxiang Zhang、Shuang Yang、Hao Zhang、Xinqiang Fang

  DOI：10.1021/acs.orglett.7b03358

  日期：2018.1.5

  The umpolung of β,γ-unsaturated diketones through N-heterocyclic carbene catalysis is described, which allows access to a variety of highly functionalized bicyclic cyclohexene-β-lactones and 1,3,4-triaryl benzenes. An unprecedented reaction pattern involving the catalytic formation of nucleophilic O-acylated homoenolate intermediate is proposed. A diverse set of transformations on the product further

  描述了通过N-杂环卡宾催化的β，γ-不饱和二酮的溶剂化反应，它允许使用各种高度官能化的双环环己烯-β-内酯和1,3,4-三芳基苯。提出了涉及催化形成亲核O-酰化均烯酸酯中间体的前所未有的反应模式。产品上的各种转化进一步显示了该方案的合成潜力。
• [EN] IMIDAZOLE-BASED ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS À BASE D'IMIDAZOLE
  申请人：PROCOMCURE BIOTECH GMBH

  公开号：WO2016087618A1

  公开（公告）日：2016-06-09

  The present invention relates to novel therapeutic agents suitable for use in the treatment of mammalian disease and in particular to novel therapeutic agents suitable for use in the treatment of microbial infection in mammals. The present invention further relates to the use of pharmaceutical compositions comprising said agents in the treatment of medical conditions in mammals, in particular in the treatment of microbial infection. The agents and pharmaceutical compositions of the invention are of particular relevance in the treatment of diseases associated with antibiotic-resistant microbes.

  本发明涉及新型治疗剂，适用于治疗哺乳动物疾病，特别是适用于治疗哺乳动物微生物感染的新型治疗剂。本发明还涉及包含上述剂的药物组合物在治疗哺乳动物的医疗状况中的使用，特别是在治疗微生物感染中的使用。本发明的剂和药物组合物在治疗与抗生素耐药微生物相关的疾病方面具有特殊意义。