4-甲氧基苯甲酰溴 | 937-29-1

• 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: 4-甲氧基苯甲酰溴
• 英文名称: 4-methoxybenzoyl bromide
• 英文别名: Anisoylbromid
• CAS: 937-29-1
• 化学式: C₈H₇BrO₂
• 分子量: 215.046
• InChiKey: JRNPJSUHNBGRSF-UHFFFAOYSA-N

物化性质

• 沸点：
  183-186 °C(Press: 27 Torr)
• 密度：
  1.518±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯甲酰溴 在 乙炔 作用下， 生成 3-bromo-1-(4-methoxy-phenyl)-propenone
  参考文献：
  名称：

  Angeletti; Montanari, Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1958, vol. 16, p. 140

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium anisate 在 草酰溴 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 4-甲氧基苯甲酰溴
  参考文献：
  名称：

  Kevill, Dennis N.; Knauss, Donald C., Journal of the Chemical Society. Perkin transactions II, 1993, # 3, p. 307 - 312

  摘要：

  DOI：

文献信息

• Electroreductive Coupling of Aromatic Acyl Bromides to 1,2-Diketones
  作者：Naoki Kise、Nasuo Ueda

  DOI：10.1246/bcsj.74.755

  日期：2001.4

  The direct electroreduction of aromatic acyl bromides gave aromatic 1,2-diketones. The best result was obtained using a Pb cathode in acetonitrile containing Bu4NClO4 as a supporting electrolyte. Aromatic acyl bromides substituted by an electron-donating group afforded 1,2-diketones in moderate-to-good yields, whereas acylated endiols were formed exclusively from aromatic acyl bromides substituted by an electron-withdrawing group.

  芳香酰溴的直接电还原反应生成了芳香1,2-二酮。在含有四丁基高氯酸铵作为支持电解质的乙腈中，使用铅阴极获得了最佳结果。带有供电子基团的芳香酰溴能够以中等至良好的产率生成1,2-二酮，而带有吸电子基团的芳香酰溴则仅生成酰基化内二醇。
• Appel Reaction of Carboxylic Acids with Tribromoisocyanuric Acid/Triphenylphosphine: a Mild and Acid-Free Preparation of Esters and Amides
  作者：Haryadylla da Cunha Sindra、Marcio C. S. de Mattos

  DOI：10.5935/0103-5053.20160006

  日期：——

  A facile and efficient method for esterification and amidation of carboxylic acids under neutral conditions has been developed. Esters and amides can be prepared by reacting a carboxylic acid (1 mmol) with tribromoisocyanuric acid (0.37 mmol) and triphenylphosphine (1 mmol) in dichloromethane at room temperature, followed by addition of an alcohol or an amine, respectively.

  已经开发了一种在中性条件下将羧酸酯化和酰胺化的简便有效的方法。可以通过在室温下使羧酸（1 mmol）与三溴异氰尿酸（0.37 mmol）和三苯膦（1 mmol）在二氯甲烷中反应，然后分别加入醇或胺来制备酯和酰胺。
• One-Pot Synthesis of Thieno[2,3-b]pyridine and Pyrido[3′,2′:4,5]thieno[3,2-d]pyrimidine Derivatives
  作者：I. V. Dyachenko、V. D. Dyachenko、P. V. Dorovatovsky、V. N. Khrustalev、V. G. Nenajdenko

  DOI：10.1134/s1070428020060020

  日期：2020.6

  2,3-b]pyridines, 8′-ethyl-7′,9′-dimethyl-1′H-spiro[cyclohexane-1,2′-pyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin]-4′(3′H)-one, and 7,8,9-trimethylpyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin-4-amine have been synthesized by one-pot three-component condensation of 3-methyl(ethyl)pentane-2,4-diones with cyanothioacetamide and α-halocarbonyl compounds, cyclohexanone, or formamide. The structures of some of the

  摘要2-酰基-4,5,6-三烷基-3-氨基噻吩并[2,3- b ]吡啶，8'-乙基-7-'，9'-二甲基-1' ħ -螺[环己烷- 1,2' -吡啶并[3'，2'：4,5]噻吩并[3,2- d ]嘧啶] -4'（3' ħ） -酮，和7,8,9- trimethylpyrido [3'，2'：4， 5] thieno [3,2 - d ]嘧啶-4-胺是由3-甲基（乙基）戊烷-2,4-二酮与氰基硫代乙酰胺和α-卤代羰基化合物，环己酮的一锅三组分缩合反应合成的，或甲酰胺。通过X射线分析研究了一些合成的噻吩并[2,3- b ]吡啶衍生物的结构。
• Hydroxylated Long-Chain Resveratrol Derivatives Useful as Neurotrophic Agents
  申请人：Luu Bang

  公开号：US20100048731A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of general formula (I) below in which R 1 , R 2 and R 3 represent, independently of one another, a hydrogen atom or a C 1 -C 6 alkyl group or a (C 1 -C 6 alkyl)carbonyl group, R 4 , R 5 , R 6 and R 7 represent a hydrogen or a C 1 -C 6 alkyl group, a C1-C6 alkoxy group or a (C 1 -C 6 alkyl)carbonyloxy group, and n is an integer between 8 and 20, or its pharmaceutically acceptable addition salts, isomers, enantiomers and diastereoisomers, and also mixtures thereof. The invention also relates to a pharmaceutical composition comprising the compound and to the use thereof as a neurotrophic agent.

  本发明涉及以下通式（I）中的化合物，其中R1、R2和R3分别独立地表示氢原子或C1-C6烷基或（C1-C6烷基）羰基，R4、R5、R6和R7表示氢或C1-C6烷基、C1-C6烷氧基或（C1-C6烷基）羰氧基，n为8至20之间的整数，或其药学上可接受的加合盐、异构体、对映体和非对映体，以及它们的混合物。该发明还涉及包含该化合物的药物组合物以及其作为神经营养因子的用途。
• Discovery of Metal Ions Chelator Quercetin Derivatives with Potent Anti-HCV Activities
  作者：Dongwei Zhong、Mingming Liu、Yang Cao、Yelin Zhu、Shihui Bian、Jiayi Zhou、Fengjie Wu、Kum-Chol Ryu、Lu Zhou、Deyong Ye

  DOI：10.3390/molecules20046978

  日期：——

  Analogues or isosteres of α,γ-diketoacid (DKA) 1a show potent inhibition of hepatitis C virus (HCV) NS5B polymerase through chelation of the two magnesium ions at the active site. The anti-HCV activity of the flavonoid quercetin (2) could partly be attributed to it being a structural mimic of DKAs. In order to delineate the structural features required for the inhibitory effect and improve the anti-HCV potency, two novel types of quercetin analogues, 7-O-arylmethylquercetins and quercetin-3-O-benzoic acid esters, were designed, synthesized and evaluated for their anti-HCV properties in cell-based assays. Among the 38 newly synthesized compounds, 7-O-substituted derivative 3i and 3-O-substituted derivative 4f were found to be the most active in the corresponding series (EC50 = 3.8 μM and 9.0 μΜ, respectively). Docking studies suggested that the quercetin analogues are capable of establishing key coordination with the two magnesium ions as well as interactions with residues at the active site of HCV NS5B.

  α,γ-二酮酸（DKA）1a的类似物或同系物通过螯合活性部位的两个镁离子，显示出对丙型肝炎病毒（HCV）NS5B聚合酶的强效抑制作用。黄酮类化合物槲皮素（2）的抗HCV活性部分可归因于其作为DKA的结构模拟物。为了阐明抑制作用所需的结构特征并提高抗HCV效力，设计、合成了两种新型槲皮素类似物，即7-O-芳甲基槲皮素和槲皮素-3-O-苯甲酸酯，并在基于细胞的实验中评估了它们的抗HCV特性。在38个新合成的化合物中，7-O-取代衍生物3i和3-O-取代衍生物4f在相应系列中最具活性（EC50分别为3.8 μM和9.0 μM）。对接研究表明，槲皮素类似物能够与HCV NS5B活性部位的两个镁离子建立关键配位，并与其残基相互作用。