(2,4-二羟基苯基)(4-甲氧基苯基)甲酮 | 5298-27-1

• 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: (2,4-二羟基苯基)(4-甲氧基苯基)甲酮
• 英文名称: (2,4-dihydroxyphenyl)(4-methoxyphenyl)methanone
• 英文别名: 2,4-dihydroxy-4'-methoxy-benzophenone；2,4-Dihydroxy-4'-methoxy-benzophenon；(2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
• CAS: 5298-27-1
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: UYHXBHCQVUQRGY-UHFFFAOYSA-N

物化性质

• 熔点：
  159 °C
• 沸点：
  453.1±28.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  (2,4-二羟基苯基)(4-甲氧基苯基)甲酮 在 盐酸羟胺 、 potassium acetate 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 23.0h， 生成 (2-Hydroxy-4-methoxy-phenyl)-(4-methoxy-phenyl)-methanone oxime
  参考文献：
  名称：

  Synthese von 4-Alkoxy-2-hydroxyphenylketoximen als Metallextraktions-Reagenzien

  摘要：

  The C-Acylation (Friedel-Crafts reaction) of resorcinol with aluminium chloride, the monoetherification in 4-position of the resulting 2,4-dihydroxyphenylketones, and the preparation of oximes (8, 9, 10, 11) from this ketones were investigated. The compounds obtained are characterized by elemental analysis, and the i.r., u.v. and H-1-n.m.r. spectra are discussed. Solubility data of some oximes are determined in water, octane and toluene. The extraction properties for copper-(II)-and iron-(III)-ions are measured by isotope methods in relation to the extragent structure, the extraction time and the pH-range.

  DOI：

  10.1002/prac.19923340313
• 作为产物：
  描述：

  苯甲醚 、 2,4-二羟基苯甲醛 在 lithium chloride 、 palladium dichloride polymer-supported phenyliodine(III) diacetate 、 硫酸 、 sodium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 以68%的产率得到(2,4-二羟基苯基)(4-甲氧基苯基)甲酮
  参考文献：
  名称：

  Chen; Chen, Synlett, 2000, # 8, p. 1175 - 1177

  摘要：

  DOI：

文献信息

• Natural products as sources of new fungicides (II): antiphytopathogenic activity of 2,4-dihydroxyphenyl ethanone derivatives
  作者：Tseden Nandinsuren、Wei Shi、An-Ling Zhang、Yu-Bin Bai、Jin-Ming Gao

  DOI：10.1080/14786419.2015.1041140

  日期：2016.5.18

  particular being more active to G. cingulate, with IC50 values of 16.50 and 19.25 μg/mL, respectively, than the other pathogens. Preliminary SAR indicated that an α,β-unsaturated ketone unit of the alkyl chain of the compounds is the structure requirement for fungicidal action. The results suggested that 2g and 2h may be promising leads in the development of new antifungal agents.

  合成了17种简单的1-（2,4-二羟基苯基）乙酮，其结构经1 H，13 C NMR和ESI-MS表征。他们的体外抗真菌活性对五种植物病原真菌包括评估炭疽病扣，番茄灰霉病菌，镰刀菌，弯孢菌叶斑病和枯萎病F。sp。通过菌丝体生长抑制试验检测血管感染。化合物2g和2h对被测病原体的菌丝体生长具有广谱抑制活性，IC 50为其值在16–36μg/ mL的范围内，尤其对扣带菌G. cing活跃，与其他病原体相比，IC 50值分别为16.50和19.25μg/ mL。初步SAR表明，化合物烷基链的α，β-不饱和酮单元是杀真菌作用的结构要求。结果表明2g和2h可能是开发新型抗真菌剂的有前途的线索。
• Hypervalent Iodine in Synthesis XXXIV: Palladium-Catalyzed Coupling Reaction of<i>o</i>-Hydroxyarylaldehydes with Hypervalent Iodonium Salts<i>Via</i>Cleavage of the Aldehyde C-H Bond
  作者：Min Xia、Zhenchu Chen

  DOI：10.1080/00397910008087349

  日期：2000.2

  Abstract A novel way of preparation for o-hydroxyarylketones with mild conditions and good yields by palladium-catalyzed coupling reaction of o-hydroxyarylaldehydes with hypervalent iodonium salts via the cleavage of the aldehyde C-H bond has been reported.

  摘要 报道了一种通过钯催化邻羟基芳醛与高价碘鎓盐通过醛 CH 键断裂的偶联反应制备邻羟基芳基酮的新方法，该方法条件温和，产率高。
• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• Selective estrogen receptor modulator
  申请人：Hamaoka Shinichi

  公开号：US20060116364A1

  公开（公告）日：2006-06-01

  The present invention provides a compound represented by the following formula [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof

  本发明提供了一种化合物，其表示为以下式子[其中T表示单键，C1-C4的烷基，可能带有取代基等；式(I-1)表示单键或双键；A表示单键，二价的5-至14-成员杂环基团，可能带有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基团等，可与5-至6-成员环缩合并且可能具有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R'表示1至4个独立的氢原子等；R"表示1至4个独立的氢原子等]或其盐，或其水合物。
• Ultraviolet absorbing copolymers
  申请人：California Institute of Technology

  公开号：US04310650A1

  公开（公告）日：1982-01-12

  Photostable and weather stable absorping copolymers have been prepared from acrylic esters such as methyl methacrylate containing 0.1 to 5% of an 2-hydroxy-allyl benzophenone, preferably the 4,4' dimethoxy derivative thereof. The pendant benzophenone chromophores protect the acrylic backbone and when photoexcited do not degrade the ester side chain, nor abstract hydrogen from the backbone.

  稳定光学性能和耐候性能的吸收共聚物已经由丙烯酸酯制备而成，例如甲基丙烯酸甲酯，其中含有0.1至5％的2-羟基-烯丙基苯酮，优选为其4,4'-二甲氧基衍生物。挂链的苯酮色团保护了丙烯酸酯主链，当被光激发时，不会降解酯侧链，也不会从主链中提取氢原子。