CAS: 961-29-5; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One

• 英文名称(E)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
• 中文名称异甘草素
• IUPAC名称(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• 其它别名(E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 4,2',4'-Trihydroxychalcone
• CAS编号961-29-5
• MFCD编号:MFCD00075907
• EINECS号:677-489-8
• 分子式:C15H12O4
• 分子量:256.25
• 产品CID: 2016374
• 产品分类有机原料→生命科学→生化试剂→天然产物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-N
• InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+…
• 计算化学: 氢键受体数4.0氢键供体数3可旋转键数3

相似化合物

物理性质

• 熔点206-210°C
• 沸点504.0±42.0 °C at 760 mmHg
• 闪点272.7±24.4 °C
• 密度1.4±0.1 g/cm3
• pKa:7.50±0.35(预测)
• PSA:77.76
• LogP:2.6995
• 折射率1.715
• 蒸汽压0.0±1.3 mmHg at 25°C
• 溶解性水: <0.1 mg/mL
• 敏感性光敏感 & 吸潮
• 外观形态黄色至橙色粉末
• 储存条件2-8°C
• 产品应用药品,化妆品助剂,食品添加剂等

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  皮肤腐蚀/刺激 类别2
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H315 |造成皮肤刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 115523-91-6 = 961-29-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 1 H,Reflux
  标题:Reinvestigation Of The Synthesis Of Isoliquiritigenin: Application Of Horner-Wadsworth-Emmons Reaction And Claisen-Schmidt Condensation
  作者:Sano,Shigeki; Okubo,Yoshinori; Handa,Atsushi; Nakao,Michiyasu; Kitaike,Syuji; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:2011 卷标:59(7) 页码:885-888]
  
  2001075-24-5 = 961-29-5
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 4 H,30 °C
  标题:Method For Synthesizing Isoliquiritigenin
  参考文献:China]
  
  124775-22-0 = 961-29-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Reflux; 20 Min,Reflux1.2 Ph 5
  标题:Synthesis Of Isoliquiritigenin
  作者:Huang,Ji-Wei; Ling,Xin-Long; Lin,Hai-Tao
  参考文献:Shizhen Guoyi Guoyao 日期:2012 卷标:23(10) 页码:2454-2456]
  
  123-08-0 + 552-41-0 = 961-29-5
  反应条件:1.1 Catalysts: Sodium Hydroxide Solvents: Ethanol; 20 °C; 40 - 45 Min,20 °C1.2 Reagents: Hydrogen Bromide Solvents: Acetone; 45 Min,Reflux1.3 Reagents: Sodium Carbonate Solvents: Water; Neutralized,Cooled
  标题:Method For Synthesizing Isoliquiritigenin
  参考文献:China]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 Solvents: Ethanol; 5 Min,Rt1.2 Reagents: Potassium Hydroxide Solvents: Water; 12 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,Rt
  标题:Preparation Of Isoliquiritigenin Derivatives And Use Thereof Inducing Brown Fat Differentiation
  参考文献:Korea]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 Catalysts: Silica,Potassium Bisulfate Solvents: Polyethylene Glycol; 8 Min,5.3 - 5.7 Bar,92 - 99 °C
  标题:Total Synthesis And Assignment Of The Absolute Stereochemistry Of Xanthoangelol J: Development Of A Highly Efficient Method For Claisen-Schmidt Condensation
  作者:Kakati,Dwipen; Barua,Nabin C.
  参考文献:Tetrahedron 日期:2014 卷标:70(3) 页码:637-642]
  
  130600-80-5 = 961-29-5 [标题:Reaction Conditions
  标题:Preparation Of Chalcone Derivatives
  参考文献:European Patent Organization]
  
  6515-05-5 + 6515-21-5 = 961-29-5
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Tetrabutylammonium Sulfate Solvents: Dichloromethane,Water; 24 - 72 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol,Dichloromethane,Water; 24 H,Rt1.3 Reagents: Water
  标题:Synthesis Of (+/-)-Abyssinone I And Related Compounds: Their Anti-Oxidant And Cytotoxic Activities
  作者:Rao,Gudapati Venkateswara; Swamy,Badrappa Narayana; Chandregowda,Venkateshappa; Reddy,G. Chandrasekara
  参考文献:European Journal Of Medicinal Chemistry 日期:2009 卷标:44(5) 页码:2239-2245]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 Catalysts: Calcium Hydroxide Solvents: Methanol; Reflux; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Cooled
  标题:Calcium Hydroxide Is An Efficient Catalyst For Synthesis Of Polyhydroxy Chalcones
  作者:Kulkarni,P. S.; Swami,P. M.; Zubaidha,P. K.
  参考文献:Synthesis And Reactivity In Inorganic 日期:2013 卷标:43(5) 页码:617-620]
  
  30925-62-3 = 961-29-5
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 2 D,Rt1.2 Reagents: Potassium Sodium Tartrate Solvents: Methanol,Water; Cooled; Overnight,Rt
  标题:Preparation Of Liquiritigenin Precursor Via Friedel-Crafts Reaction Of 1,3-Alkoxybenzene With 4-Alkoxycinnamic Acid,And Preparation Of Liquiritigenin From The Same
  参考文献:Japan]
  
  130600-80-5 = 961-29-5
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Methanol; 6 H,Rt
  标题:Synthesis And Anti-Tumor Activity Of Novel Aminomethylated Derivatives Of Isoliquiritigenin
  作者:Fu,Haoran; Zhang,Yuhang; Wang,Xiqing; Han,Yingzhi; Peng,Xiao; Et Al
  参考文献:Molecules 日期:2014 卷标:19(11) 页码:17715-17726]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 Reagents: Alumina; 1 - 3 Min,Heated
  标题:Microwave Assisted Solid Support Synthesis Of Some 2,4-Dihydroxy-Substituted Chalcones As Potential Antibacterial Agents
  作者:Shakhawat,Sheetal; Devpura,Anju; Tiwari,Parul; Dulawat,Shiv Singh
  参考文献:Asian Journal Of Biochemical And Pharmaceutical Research 日期:2011 卷标:1(1) 页码:29-32]
  
  74189-56-3 + 111841-07-7 = 961-29-5
  反应条件:1.1 Reagents: Barium Hydroxide Solvents: Methanol; 12 H,50 °C; Cooled1.2 Catalysts: P-Toluenesulfonic Acid Solvents: Methanol; 15 H,Rt
  标题:Geometrically And Conformationally Restrained Cinnamoyl Compounds As Inhibitors Of Hiv-1 Integrase: Synthesis,Biological Evaluation,And Molecular Modeling
  作者:Artico,Marino; Di Santo,Roberto; Costi,Roberta; Novellino,Ettore; Greco,Giovanni; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1998 卷标:41(21) 页码:3948-3960]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 7 Min,109 °C
  标题:Synthesis Of Some Novel Chalcones And Their Facile One-Pot Conversion To 2-Aminobenzene-1,3-Dicarbonitriles Using Malononitrile
  作者:Ameta,K. L.; Rathore,Nitu S.; Kumar,Biresh
  参考文献:Analele Universitatii Bucuresti 日期:2011 卷标:20(1) 页码:15-24]
  
  123-08-0 + 89-84-9 = 961-29-5
  反应条件:1.1 Solvents: Ethanol; 5 Min,Rt1.2 Reagents: Sodium Hydroxide; 6 - 12 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 5,Rt
  标题:Structure-Activity Relationship Studies Of Chalcone Leading To 3-Hydroxy-4,3',4',5'-Tetramethoxychalcone And Its Analogues As Potent Nuclear Factor Kb Inhibitors And Their Anticancer Activities
  作者:Srinivasan,Balasubramanian; Johnson,Thomas E.; Lad,Rahul; Xing,Chengguo
  参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(22) 页码:7228-7235]
  
  184682-24-4 = 961-29-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; 30 Min,70 °C
  标题:Isoliquiritigenin Derivatives Inhibit Rankl-Induced Osteoclastogenesis By Regulating P38 And Nf-Kb Activation In Raw 264.7 Cells
  作者:Jeong,Seongtae; Lee,Seahyoung; Kim,Kundo; Lee,Yunmi; Lee,Jiyun; Et Al
  参考文献:Molecules 日期:2020 卷标:25(17)]
  
  1210441-77-2 = 961-29-5
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Methanol; 8 H,30 °C
  标题:Method For Synthesis Of Isoliquiritigenin From 4-Hydroxybenzaldehyde And 2,4-Dihydroxyacetophenone
  参考文献:China]
  
  63529-06-6 = 961-29-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 30 Min,Reflux
  标题:Method For Synthesis Of Isoliquiritigenin
  参考文献:China

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  2901220000-丙烯
  2902500000-苯乙烯
  2902600000-乙苯
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