CAS: 884-35-5; Methyl 4-Hydroxy-3,5-Dimethoxybenzoate

• 英文名称Methyl 4-Hydroxy-3,5-Dimethoxybenzoate
• 中文名称丁香酸甲酯
• IUPAC名称methyl 4-hydroxy-3,5-dimethoxybenzoate
• 其它别名Methyl Syringate; Methyl 4-Hydroxy-3,5-Dimethoxybenzoate; Methyl 3,5-Dimethoxy-4-Hydroxybenzoate; Syringic Acid Methyl Ester; Benzoic Acid, 4-Hydroxy-3,5-Dimethoxy-, Methyl Ester; Methyl 4-Hydroxy-3,5-Dimethoxy-Benzoate
• CAS编号884-35-5
• MFCD编号:MFCD00017199
• EINECS号:618-163-7
• FDA UNII编号:W5A196MP8A
• 分子式:C10H12O5
• 分子量:212.2
• 产品CID: 1894916
• 产品分类有机原料 → 羧酸类化合物及衍生物 → 羧酸酯及其衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZMXJAEGJWHJMGX-UHFFFAOYSA-N
• InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数4.0

物理性质

• 熔点103-107 °C
• 沸点339.9±37.0 °C at 760 mmHg
• 闪点132.4±20.0 °C
• 密度1.2±0.1 g/cm3
• pKa:8.38±0.23(预测)
• PSA:64.99
• LogP:1.1
• 折射率1.525
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色固体
• 储存条件惰性气氛,室温
• 产品应用广泛运用于医药,农药,染料化工和有机合成工业.
• 性质描述白色或类白色结晶粉末,溶于乙醇,乙醚,微溶于水.熔点103-107°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
• 防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• 危险品标志Xi
• 安全声明37/39-26-60-37
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Methyl Syringate 主要起始原料 Methyl 3,4,5-Trimethoxybenzoate
• 1916-07-0 = 884-35-5
  反应条件:1.1 Reagents: Magnesium,Iodine Solvents: Diethyl Ether; 0 °C; 2 H,Reflux1.2 Solvents: Dichloromethane; 1 H,80 °C1.3 Reagents: Sodium Thiosulfate Solvents: Ethyl Acetate,Water
  标题:A Synthetic Approach To Chrysophaentin F
  作者:Vendeville,Jean-Baptiste; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(33) 页码:4837-4840]
  
  530-57-4 = 884-35-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; Rt -> Reflux; 3 H,Reflux
  标题:Reactions Of 2,2-Diphenyl-1-Picrylhydrazyl (Dpph) With Two Syringylic Phenols Or One Aroxide Derivative
  作者:Hristea,Elena N.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2009 卷标:(5) 页码:626-634]
  
  27065-65-2 = 884-35-5
  反应条件:1.1 Reagents: Nickel Dichloride,Sodium Borohydride Solvents: Methanol; 5 - 10 Min,0 °C1.2 Reagents: Methanol; 20 Min
  标题:Nicl2.6H2O/nabh4 In Methanol: A Mild And Efficient Strategy For Chemoselective Deallylation/debenzylation Of Aryl Ethers
  作者:Chouhan,Mangilal; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(34) 页码:4540-4543]
  
  1147-85-9 = 884-35-5
  反应条件:1.1 Reagents: Nickel Dichloride,Sodium Borohydride Solvents: Methanol; 5 - 10 Min,0 °C1.2 Reagents: Methanol; 20 Min
  标题:Nicl2.6H2O/nabh4 In Methanol: A Mild And Efficient Strategy For Chemoselective Deallylation/debenzylation Of Aryl Ethers
  作者:Chouhan,Mangilal; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(34) 页码:4540-4543]
  
  149-91-7 = 884-35-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,Reflux
  标题:Design And Synthesis Of A Series Of Serine Derivatives As Small Molecule Inhibitors Of The Sars Coronavirus 3Cl Protease
  作者:Konno,Hiroyuki; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2016 卷标:24(6) 页码:1241-1254]
  
  91-10-1 = 884-35-5
  反应条件:1.1 Catalysts: 1,10-Phenanthroline Solvents: Methanol; 36 H,120 °C
  标题:Nickel-Catalyzed Para-Selective Carboxylation Of Phenols With Cbr4/meoh
  作者:Tu,Guangliang; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2022 卷标:9(14) 页码:3876-3881]
  
  118-41-2 = 884-35-5
  反应条件:1.1 Reagents: Boron Trichloride Solvents: Dichloromethane; -10 °C; 30 H,-10 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Synthesis Of Leptosin,A Glycoside Isolated From Manuka Honey
  作者:Aitken,Harry R. M.; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(50) 页码:6916-6919]
  
  149-91-7 = 884-35-5
  反应条件:1.1 Catalysts: Sulfuric Acid1.2 Reagents: Dimethyl Sulfate2.1 Reagents: Zinc Chloride Solvents: Propionic Acid
  标题:Novel Selective Demethylation Reaction-Synthesis Of 3,5- Dimethoxy-4-Hydroxybenzoate
  作者:Jing,Xiaobi; Et Al
  参考文献:Lanzhou Daxue Xuebao 日期:2001 卷标:37(3) 页码:78-79]
  
  149-91-7 = 884-35-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 4 H,Reflux2.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 4 H,Rt
  标题:Synthesis Of Diverse Analogues Of Oenostacin And Their Antibacterial Activities
  作者:Srivastava,Vandana; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(1) 页码:518-525]
  
  530-57-4 = 884-35-5
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Pyridine Solvents: Diethyl Ether; 2 - 4 H,80 °C2.1 Solvents: Diethyl Ether; 8 - 10 H,70 - 80 °C
  标题:Phenolic Acid Derivatives As Preservatives: Synthesis,Antioxidant,Antimicrobial Potential And Their Preservative Effectiveness
  作者:Sigroha,Sumit; Et Al
  参考文献:International Journal Of Pharmaceutical Sciences And Research 日期:2021 卷标:12(10) 页码:5526-5537]
  
  1916-07-0 = 884-35-5
  反应条件:1.1 Reagents: Boron Trichloride
  标题:Boron Trichloride As A Selective Demethylating Agent For Hindered Ethers
  作者:Carvalho,Christopher F.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(4) 页码:227-9]
  
  530-57-4 = 884-35-5
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol; 6 H,Reflux
  标题:Synthesis And Antileukemic Activities Of Piperlongumine And Hdac Inhibitor Hybrids Against Acute Myeloid Leukemia Cells
  作者:Liao,Yi; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(17) 页码:7974-7990]
  
  530-57-4 = 884-35-5
  反应条件:1.1 Reagents: 1,8-Bis(Tetramethylguanidino)Naphthalene Solvents: Dimethylformamide; Rt1.2 Reagents: Formic Acid Solvents: Water
  标题:Alkylation Of Carboxylic Acids In A Microfluidic Device: Kinetics Parameters Determination,Hammett Reaction Constant Measurement And Optimization Of Preparative Experiment
  作者:Gholamipour-Shirazi,Azarmidokht; Et Al
  参考文献:International Electronic Conference On Synthetic Organic Chemistry 日期:2009]
  
  27065-65-2 = 884-35-5 [标题:Reaction Conditions
  标题:Product Class 8: Ethers As Protecting Groups
  作者:Petursson,S.
  参考文献:Science Of Synthesis 日期:2008 卷标:37 页码:847-892]
  
  130774-07-1 = 884-35-5 [标题:Reaction Conditions
  标题:Studies On The Constituents Of The Bark Of Kalopanax Pictus Nakai
  作者:Sano,Kazuko; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1991 卷标:39(4) 页码:865-70]
  
  134-96-3 = 884-35-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Alumina,Gold; 0.3 Mpa,Rt; 4 H,140 °C
  标题:Gold-Mediated Selective Transformation Of Lignin Models To Aromatic Esters In The Presence Of Molecular Oxygen
  作者:Zhuang,Xuli; Et Al
  参考文献:Catalysis Today 日期:2017 卷标:298 页码:190-196]
  
  50597-60-9 = 884-35-5
  反应条件:1.1 Solvents: Diethyl Ether; 8 - 10 H,70 - 80 °C
  标题:Phenolic Acid Derivatives As Preservatives: Synthesis,Antioxidant,Antimicrobial Potential And Their Preservative Effectiveness
  作者:Sigroha,Sumit; Et Al
  参考文献:International Journal Of Pharmaceutical Sciences And Research 日期:2021 卷标:12(10) 页码:5526-5537]
  
  91925-82-5 = 884-35-5
  反应条件:1.1 Reagents: Potassium Carbonate1.2 Reagents: Hydrogen Catalysts: Palladium
  标题:Synthesis And Antioxidant Activities Of 3,5-Dialkoxy-4-Hydroxycinnamamides
  作者:Kang,Tae-Souk; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(5) 页码:1663-1667]
  
  91925-82-5 = 884-35-5 [标题:Reaction Conditions
  标题:Product Class 8: Ethers As Protecting Groups
  作者:Petursson,S.
  参考文献:Science Of Synthesis 日期:2008 卷标:37 页码:847-892]
  
  99-24-1 = 884-35-5 [标题:Reaction Conditions
  标题:Product Class 8: Ethers As Protecting Groups
  作者:Petursson,S.
  参考文献:Science Of Synthesis 日期:2008 卷标:37 页码:847-892]
  
  782452-40-8 = 884-35-5 + 530-57-4
  反应条件:1.1 Reagents: Ethylene Glycol Solvents: Ethylene Glycol; 1 H,120 °C
  标题:Simple Deprotection Of Acetal Type Protecting Groups Under Neutral Conditions
  作者:Miyake,Hideyoshi; Et Al
  参考文献:Tetrahedron Letters 日期:2004 卷标:45(39) 页码:7213-7215]
  
  1916-07-0 = 884-35-5 + 3934-86-9
  反应条件:1.1 Reagents: Methanesulfonic Acid; 48 H,60 °C
  标题:Regioselective Demethylation Catalyzed By Methylsulfonic Acid
  作者:Zhang,Cheng-Gang
  参考文献:Sichuan Shifan Daxue Xuebao 日期:2004 卷标:27(5) 页码:523-524

海关参考信息

• 2906210000-苄醇
  2907210001-间苯二酚
  2907221000-对苯二酚
  2912110000-甲醛
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