CAS: 93-40-3; 3,4-Dimethoxyphenylacetic Acid

• 英文名称3,4-Dimethoxyphenylacetic Acid
• 中文名称3,4-二甲氧基苯乙酸
• IUPAC名称2-(3,4-dimethoxyphenyl)acetic acid
• 其它别名34二甲氧基苯乙酸
• CAS编号93-40-3
• MFCD编号:MFCD00004335
• EINECS号:202-244-5
• FDA UNII编号:YY50GIT3C7
• 分子式:C10H12O4
• 分子量:196.2
• 产品CID: 1973316
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: WUAXWQRULBZETB-UHFFFAOYSA-N
• InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数4.0

物理性质

• 熔点96-98°C
• 沸点293.08 °C at 760 mmHg
• 闪点130.2±17.2 °C
• 密度1.2±0.1 g/cm3
• pKa:pK1:4.333 (25°C)
• PSA:55.76
• LogP:1.3309
• 折射率1.527
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至米色粉末
• 储存条件密封, 常温干燥保存
• 产品应用罂粟碱的中间体
• 性质描述白色或类白色结晶粉末,熔点96-99°C,可溶于水.

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
  急性毒性 类别4(经口)
  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.
  H302 |吞咽有害.
  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
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xn,Xi
• 安全声明22-24/25-36/37-26-37/39
• 危险类别码36/37/38-22-36/37
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 15964-79-1 = 93-40-3
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Tetrahydrofuran; 10 H,80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Design,Synthesis And Biological Evaluation Of Small Molecular Polyphenols As Entry Inhibitors Against H5N1
  作者:Yang,Jian; Yang,Jing Xiang; Zhang,Fang; Chen,Gang; Pan,Wei; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(12) 页码:2680-2684]
  
  93-17-4 = 93-40-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Hydrolysis Of Arylacetonitriles
  作者:Wenner,Wilhelm
  参考文献:Journal Of Organic Chemistry 日期:1950 卷标:15 页码:548-51]
  
  70360-83-7 = 93-40-3
  反应条件:1.1 Reagents: Acetic Acid,Sodium Nitrite Solvents: Dimethyl Sulfoxide; 35 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Synthesis Of 3,4-Dimethoxyphenylacetic Acid
  作者:Xu,Hui; Jiang,Yu-Ren; Chen,Fang-Jun; Ma,Guan-Jun
  参考文献:Guangzhou Huagong 日期:2009 卷标:37(1) 页码:39-41]
  
  494-99-5 = 93-40-3
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Xanthone,2,2′-Methylenebis[pyridine],Nickel Dichloride Solvents: Benzene; 4 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Carboxylation Of Benzylic And Aliphatic C-H Bonds With Co2 Induced By Light/ketone/nickel
  作者:Ishida,Naoki; Masuda,Yusuke; Imamura,Yuuya; Yamazaki,Katsushi; Murakami,Masahiro
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(50) 页码:19611-19615]
  
  5415-56-5 = 93-40-3 [标题:Reaction Conditions
  标题:Diastereoselective Synthesis Of Cularine Alkaloids Via Enium Ions And An Easy Entry To Isoquinolines By Aza-Wittig Electrocyclic Ring Closure
  作者:Rodrigues,J. Augusto R.; Abramovitch,Rudolph A.; De Sousa,Joana D. F.; Leiva,Genaro C.
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(9) 页码:2920-2928]
  
  120-14-9 = 93-40-3
  反应条件:1.1 Reagents: Potassium Borohydride Solvents: Methanol; Rt1.2 Reagents: Thionyl Chloride Solvents: Dichloromethane; 0 °C1.3 Solvents: Acetonitrile; Reflux1.4 Reagents: Potassium Hydroxide Solvents: Ethanol; Reflux
  标题:Novel Hybrids From Lamellarin D And Combretastatin A4 As Cytotoxic Agents
  作者:Shen,Li; Yang,Xiaochun; Yang,Bo; He,Qiaojun; Hu,Yongzhou
  参考文献:European Journal Of Medicinal Chemistry 日期:2010 卷标:45(1) 页码:11-18]
  
  7417-21-2 = 93-40-3
  反应条件:1.1 Reagents: Tempol,Potassium Chloride,Oxygen,Ferric Nitrate Solvents: 1,2-Dichloroethane; 24 H,25 °C
  标题:Method For Synthesizing Carboxylic Acid Or Ketone Compound From Alcohol Or Aldehyde By Using Oxygen Or Oxygen In Air As Oxidant
  参考文献:China]
  
  1131-62-0 = 93-40-3
  反应条件:1.1 Reagents: Morpholine,Sulfur Catalysts: P-Toluenesulfonic Acid; 8 H,120 °C; 10 Min,Cooled1.2 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 0 °C -> 100 °C; 5 H,100 °C
  标题:3-Arylcoumarin Inhibits Vascular Calcification By Inhibiting The Generation Of Ages And Anti-Oxidative Stress
  作者:Li,Yufei; Pan,Yinbo; Wang,Liying; Wang,Xiaojing; Chu,Haiping; Et Al
  参考文献:Journal Of Enzyme Inhibition And Medicinal Chemistry 日期:2022 卷标:37(1) 页码:2147-2157]
  
  93-17-4 = 93-40-3
  反应条件:1.1 Catalysts: Nitrilase Solvents: Water; 20 H,Ph 6.5,30 °C
  标题:Biocatalytic Synthesis Of (R)-(-)-Mandelic Acid From Racemic Mandelonitrile By Cetyltrimethylammonium Bromide-Permeabilized Cells Of Alcaligenes Faecalis Ecu0401
  作者:He,Yu-Cai; Zhang,Zhi-Jun; Xu,Jian-He; Liu,You-Yan
  参考文献:Journal Of Industrial Microbiology & Biotechnology 日期:2010 卷标:37(7) 页码:741-750]
  
  13790-42-6 = 93-40-3
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: Acetonitrile
  标题:Montmorillonite Clay: A Novel Reagent For The Chemoselective Hydrolysis Of T-Butyl Esters
  作者:Yadav,J. S.; Reddy,B. V. Subba; Rao,K. Sanjeeva; Harikishan,K.
  参考文献:Synlett 日期:2002 卷标:(5) 页码:826-828]
  
  13443-54-4 = 93-40-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic Acid,Sulfuric Acid
  标题:Aromatic Hydroxyalkylation. Condensation Of Chloral With Veratrole
  作者:Quelet,Raymond; Gavarret,Jean; Pineau,Robt.
  参考文献:Bulletin De La Societe Chimique De France 日期:1954 卷标:932 页码:932-4]
  
  93-17-4 = 93-40-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; Rt; 10 H,Reflux
  标题:Preparation And Composition Of Novel Tyloindicines As Antiviral,Anticancer,Antibacterial,And Anti-Inflammatory Agents
  参考文献:World Intellectual Property Organization]
  
  1253039-09-6 = 93-40-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetonitrile,Water; 5 H,55 - 65 °C
  标题:2-(Trimethylsilyl)-1,3-Dithiane 1-Oxide As A Convenient Reagent For The Transformation Of Aldehydes And Ketones Into Homologous Carboxylic Acids
  作者:Krohn,Karsten; Cludius-Brandt,Stephan
  参考文献:Synthesis 日期:2010 卷标:(15) 页码:2616-2620]
  
  93-17-4 = 93-40-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 14 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Synthesis Of Xylopinine
  作者:Guo,Xinyan; Jiang,Shende
  参考文献:Jingxi Huagong 日期:2010 卷标:27(9) 页码:882-884]
  
  93-17-4 = 93-40-3
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol
  标题:Synthesis Of (+/-)-17,18-Dimethoxyhexadehydroyohimbane. A Key Intermediate In The Synthesis Of Deserpidine Analog
  作者:Chatterjee,A. Mrs.; Pandit,U. K.
  参考文献:Journal Of The Indian Chemical Society 日期:1989 卷标:66(8) 页码:656-9]
  
  4755-77-5 + 91-16-7 = 93-40-3
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Ethylene Glycol,Water; Rt -> 120 °C; 2 H,120 °C; 120 °C -> Rt1.2 Reagents: Potassium Hydroxide; 2 H,Rt -> 180 °C; 4 H,Reflux; Reflux -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:An Alternative Process For Preparation Of 3,4-Dimethoxyphenylacetic Acid
  作者:Yao,Guoxin; Chen,Gang; Lu,Yong; Zhu,Jintao
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2010 卷标:41(10) 页码:730-731]
  
  120-14-9 + 543-24-8 = 93-40-3
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Acetic Anhydride; 1 H,60 °C1.2 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 1 H,10 °C
  标题:Preparation Of Arylacetic Acids
  参考文献:China]
  
  7417-21-2 = 93-40-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Tempol,Ferric Nitrate Solvents: Acetonitrile; 24 H,25 °C
  标题:Method For Synthesizing Carboxylic Acid Or Ketone Compounds From Alcohol Or Aldehyde Using Oxygen Or Oxygen In Air As Oxidant
  参考文献:World Intellectual Property Organization]
  
  25349-37-5 = 93-40-3
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water
  标题:Homoveratric Acid (3,4-Dimethoxyphenylacetic Acid)
  作者:Snyder,H. R.; Buck,J. S.; Ide,W. S.
  参考文献:Organic Syntheses 日期:1935 页码:31-4

海关参考信息

• 2902600000-乙苯
  2907210001-间苯二酚
  2912110000-甲醛
  2912120000-乙醛
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