CAS: 93-07-2; 3,4-Dimethoxybenzoic Acid

• 英文名称3,4-Dimethoxybenzoic Acid
• 中文名称3,4-二甲氧基苯甲酸
• IUPAC名称3,4-dimethoxybenzoic acid
• 其它别名藜芦酸; 绿藜芦酸; 3,4-Dimethoxybenzoic Acid
• CAS编号93-07-2
• MFCD编号:MFCD00002500
• EINECS号:202-215-7
• FDA UNII编号:1YY04E7RR4
• 分子式:C9H10O4
• 分子量:182.17
• 产品CID: 2463148
• 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: DAUAQNGYDSHRET-UHFFFAOYSA-N
• InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点179-182°C
• 沸点302.9±22.0 °C at 760 mmHg
• 闪点120.9±15.8 °C
• 密度1.2±0.1 g/cm3
• pKa:4.35±0.10(预测)
• PSA:55.76
• LogP:1.402
• 折射率1.533
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性0.5G/l
• 敏感性Stable. Incompatible with strong oxidizing agents.
• 外观形态几乎白色至米色结晶粉末
• 储存条件惰性气氛,室温
• 产品应用该化合物用于,蛋白质和碳水化合物的离子化矩阵.
• 性质描述该品为白色结晶体.熔点179-182°C.

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
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
• 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26-36-37/39
• 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

• 61040-75-3 = 93-07-2
  反应条件:1.1 Reagents: Nitrogen Dioxide; 24 H,0.6 Bar,25 °C
  标题:Oxidative Deprotection Of Benzylic Silyl Ethers To Their Corresponding Carbonyl Compounds Using Nitrogen Dioxide Gas
  作者:Javaheri,Mehdi; Naimi-Jamal,M. Reza; Dekamin,Mohammad G.
  参考文献:International Electronic Conference On Synthetic Organic Chemistry 日期:2009]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Catalysts: Serratia Marcescens
  标题:Oxidation Of Aromatic Aldehydes By Serratia Marcescens
  作者:De La Fuente,G.; Perestelo,F.; Rodriguez-Perez,A.; Falcon,M. A.
  参考文献:Applied And Environmental Microbiology 日期:1991 卷标:57(4) 页码:1275-6]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Ebselen Solvents: Tert-Butanol1.2 Reagents: Hydrochloric Acid Solvents: Dichloromethane,Water
  标题:Selective Oxidation Of Aromatic Aldehydes To Arenecarboxylic Acids Using Ebselen-Tert-Butyl Hydroperoxide Catalytic System
  作者:Wojtowicz,Halina; Brzaszcz,Monika; Kloc,Krystian; Mlochowski,Jacek
  参考文献:Tetrahedron 日期:2001 卷标:57(48) 页码:9743-9748]
  
  93-03-8 = 93-07-2
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Vanadium Oxide (V2O5) Solvents: Water; 8 H,Reflux
  标题:Efficient Synthesis Of Carbonyl Compounds: Oxidation Of Azides And Alcohols Catalyzed By Vanadium Pentoxide In Water Using Tert-Butylhydroperoxide
  作者:Alagiri,Kaliyamoorthy; Prabhu,Kandikere Ramaiah
  参考文献:Tetrahedron 日期:2011 卷标:67(44) 页码:8544-8551]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt -> Reflux; 7 H,Ph 11,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Method For Complete Chemical Synthesis Of Mangiferin Aglycon
  参考文献:China]
  
  93-03-8 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide,1-Butanaminium,N,N,N-Tributyl-,Dichlorobromate(1-) (1:1) Solvents: Water; 18 H,Rt1.2 Reagents: Hydrochloric Acid,Sodium Sulfite Solvents: Water; Rt
  标题:Oxidation Of Benzyl Alcohols With Tetraalkylammonium Dichlorobromate(1-)
  作者:Negoro,Tekeshi; Tanaka,Takanori; Taketomo,Hisae; Fujita,Yuki; Yano,Kozue
  参考文献:Wakayama Daigaku Kyoikugakubu Kiyo 日期:2003 卷标:53 页码:7-18]
  
  10535-17-8 = 93-07-2
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Cobalt Oxyhydroxide Solvents: Water; 10 H,Rt
  标题:Selectively Upgrading Lignin Derivatives To Carboxylates Through Electrochemical Oxidative C(Oh)-C Bond Cleavage By A Mn-Doped Cobalt Oxyhydroxide Catalyst
  作者:Zhou,Hua; Li,Zhenhua; Xu,Si-Min; Lu,Lilin; Xu,Ming; Et Al
  参考文献:Angewandte Chemie 日期:2021 卷标:60(16) 页码:8976-8982]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 1.5 H,60 °C
  标题:Preparation Of Aromatic Heterocyclic Compounds For Treating Phosphodiesterase 4 Related Diseases
  参考文献:China]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 1.5 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Heteroaromatic Derivatives As Pde4 Inhibitors And Their Preparation And Pharmaceutical Applications
  参考文献:World Intellectual Property Organization]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Reagents: Peracetic Acid
  标题:Study On Synthesis Process Of Gefitinib
  作者:Xu,Jian-Kang; Che,Da-Qing; Zhao,Zong-Min; Cai,Ya-Xiang; Ye,Mei-Qi
  参考文献:Huaxi Yaoxue Zazhi 日期:2012 卷标:27(4) 页码:362-364]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Oxygen Catalysts: Bismuth Oxide (Bi2O3),Palladium,Graphite Solvents: Water
  标题:Method And Catalysts For Oxidizing An Aromatic Aldehyde In A Basic Medium Into The Corresponding Carboxylic Acid
  参考文献:World Intellectual Property Organization]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; Rt -> 60 °C; 2 H,60 °C; 60 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2,Rt
  标题:Vu6010608,A Novel Mglu7 Nam From A Series Of N-(2-(1H-1,2,4-Triazol-1-Yl)-5-(Trifluoromethoxy)Phenyl)Benzamides
  作者:Reed,Carson W.; Mcgowan,Kevin M.; Spearing,Paul K.; Stansley,Branden J.; Roenfanz,Hanna F.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(12) 页码:1326-1330]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 2 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Diphenylurea Derivatives For Combating Methicillin- And Vancomycin-Resistant Staphylococcus Aureus
  作者:Eissa,Ibrahim H.; Mohammad,Haroon; Qassem,Omar A.; Younis,Waleed; Abdelghany,Tamer M.; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2017 卷标:130 页码:73-85]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Reagents: Lithium Bromide,Oxygen Catalysts: Manganese Acetate,Cobalt Acetate Solvents: Acetic Acid; 3 H,1 Mpa,130 °C
  标题:Kinetics And Process Parameter Studies In Catalytic Air Oxidation Of Veratraldehyde To Veratric Acid
  作者:Mukhopadhyay,Sudip
  参考文献:Organic Process Research & Development 日期:1999 卷标:3(5) 页码:365-369]
  
  13443-56-6 = 93-07-2
  反应条件:1.1 Reagents: Sodium Methoxide,Oxygen Catalysts: Silver Triflate Solvents: Methanol,Tetrahydrofuran; 1 Atm,Rt; Rt -> 37 °C; 6 H,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Silver(I)-Catalyzed Widely Applicable Aerobic 1,2-Diol Oxidative Cleavage
  作者:Zhou,Zhong-Zhen; Liu,Mingxin; Lv,Leiyang; Li,Chao-Jun
  参考文献:Angewandte Chemie 日期:2018 卷标:57(10) 页码:2616-2620]
  
  2150-38-1 = 93-07-2
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 2 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Polyhydroxybenzoic Acid Derivatives As Potential New Antimalarial Agents
  作者:Degotte,Gilles; Pirotte,Bernard; Frederich,Michel; Francotte,Pierre
  参考文献:Archiv Der Pharmazie (Weinheim 日期:2021 卷标:354(11)]
  
  1131-62-0 = 93-07-2
  反应条件:1.1 Reagents: Oxygen Catalysts: Cobalt Dinitrate,Manganese Nitrate Solvents: Acetic Acid
  标题:Highly Selective And Efficient Conversion Of Alkyl Aryl And Alkyl Cyclopropyl Ketones To Aromatic And Cyclopropane Carboxylic Acids By Aerobic Catalytic Oxidation: A Free-Radical Redox Chain Mechanism
  作者:Minisci,Francesco; Recupero,Francesco; Fontana,Francesca; Bjorsvik,Hans-Rene; Liguori,Lucia
  参考文献:Synlett 日期:2002 卷标:(4) 页码:610-612]
  
  494-99-5 = 93-07-2
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 1-Hexadecanaminium,N,N,N-Trimethyl-,(Pb-7-34-111′1′2)-Oxodiperoxy(2-Pyridineca... Solvents: Water; 16 H,80 °C
  标题:Controlled And Predictably Selective Oxidation Of Activated And Unactivated C(Sp3)-H Bonds Catalyzed By A Molybdenum-Based Metallomicellar Catalyst In Water
  作者:Thiruvengetam,Prabaharan; Chand,Dillip Kumar
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(6) 页码:4061-4077]
  
  1239346-64-5 = 93-07-2
  反应条件:1.1 Reagents: Potassium Hydroxide,Disodium Phosphate,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Methanol,Water; 10 Min,Rt
  标题:Kmno4-Mediated Oxidation As A Continuous Flow Process
  作者:Sedelmeier,Jorg; Ley,Steven V.; Baxendale,Ian R.; Baumann,Marcus
  参考文献:Organic Letters 日期:2010 卷标:12(16) 页码:3618-3621]
  
  120-14-9 = 93-07-2
  反应条件:1.1 Reagents: 1,5,7-Triazabicyclo[4.4.0]Dec-5-Ene,Oxygen Catalysts: 5H-Pyrrolo[2,1-C]-1,2,4-Triazolium,6,7-Dihydro-2-(2,4,6-Trimethylphenyl)-,Tetr... Solvents: Acetonitrile; 1 - 24 H,Rt
  标题:Cooperative N-Heterocyclic Carbene (Nhc) And Ruthenium Redox Catalysis: Oxidative Esterification Of Aldehydes With Air As The Terminal Oxidant
  作者:Zhao,Junfeng; Mueck-Lichtenfeld,Christian; Studer,Armido
  参考文献:Advanced Synthesis & Catalysis 日期:2013 卷标:355(6) 页码:1098-1106

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2907210001-间苯二酚
  2912110000-甲醛
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