CAS: 86-81-7; 3,4,5-Trimethoxybenzaldehyde

• 英文名称3,4,5-Trimethoxybenzaldehyde
• 中文名称3,4,5-三甲氧基苯甲醛
• IUPAC名称3,4,5-trimethoxybenzaldehyde
• 其它别名3,4,5-Trimethoxybenzaldehyde
• CAS编号86-81-7
• MFCD编号:MFCD00003364
• EINECS号:201-701-6
• FDA UNII编号:WL86YD76N6
• 分子式:C10H12O4
• 分子量:196.1994
• 产品CID: 1871268
• 产品分类化学试剂 → 有机试剂 → 芳香醛(含缩醛,半缩醛)

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: OPHQOIGEOHXOGX-UHFFFAOYSA-N
• InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点72-74  °C(文献)
• 沸点311.4±37.0 °C at 760 mmHg
• 闪点136.8±26.5 °C
• 密度1.1±0.1 g/cm3
• PSA:44.76
• LogP:1.4
• 折射率1.525
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性溶于甲醇,溶解度为0.1g/mL,澄清
• 敏感性要求生产设备密闭，车间通风良好。操作人员穿戴防护用具。
• 外观形态白色晶体
• 储存条件避光，密闭保存。用桶装。贮存在阴凉、干燥环境、通风的库房内，严密封保存存。按一般化学品规定贮运。
• 产品应用用作磺胺增效剂,抗菌增效剂TMP的重要中间体.
• 性质描述白色至微黄色针状晶体.熔点74-75°C,沸点163-165°C(1.33kPa).

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi,C
• 安全声明S22-S24/25
• 危险类别码R36/37/38
• WGK Germany3

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 3,4,5-Trimethoxybenzaldehyde 主要起始原料 Syringaldehyde And Iodomethane
• 123731-52-2 = 86-81-7
  反应条件:1.1 Reagents: Cerium Ammonium Nitrate Solvents: Acetonitrile
  标题:Lewis Acid Assisted Permanganate Oxidations
  作者:Lai,Sheng; Et Al
  参考文献:Tetrahedron 日期:2002 卷标:58(49) 页码:9879-9887]
  
  3840-30-0 = 86-81-7
  反应条件:1.1 Reagents: Periodic Acid (H5Io6),1H-Imidazolium,3-Dodecyl-1-Methyl-,(T-4)-Tetrachloroferrate(1-) (1:1) Solvents: 1H-Imidazolium,3-Dodecyl-1-Methyl-,(T-4)-Tetrachloroferrate(1-) (1:1); 1.5 H,30 °C
  标题:Highly Efficient Oxidation Of Organic Halides To Aldehydes And Ketones With H5Io6 In Ionic Liquid [c12Mim][fecl4]
  作者:Hu,Yu Lin; Et Al
  参考文献:Catalysis Communications 日期:2010 卷标:11(10) 页码:923-927]
  
  61040-78-6 = 86-81-7
  反应条件:1.1 Reagents: Oxygen Catalysts: Chloramine-T,Potassium Osmate Dihydrate Solvents: Tert-Butanol,Water; 25 Min,Rt1.2 Reagents: Sodium Sulfite; 30 Min,Rt
  标题:Osmium (Vi) Catalyzed Chemoselective Oxidation Of Allylic And Benzylic Alcohols
  作者:Devari,Shekaraiah; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(48) 页码:6407-6410]
  
  6443-69-2 = 86-81-7
  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; 24 H,50 °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; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(6) 页码:4061-4077]
  
  75-57-0 + 134-96-3 = 86-81-7
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: 1,2-Dimethoxyethane; 25 Min,145 °C
  标题:Microwave-Assisted Methylation Of Phenols With Tetramethylammonium Chloride In The Presence Of K2Co3 Or Cs2Co3
  作者:Maras,Nenad; Et Al
  参考文献:Tetrahedron 日期:2008 卷标:64(51) 页码:11618-11624]
  
  134-96-3 = 86-81-7
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 9 - 10; 3 H,45 - 60 °C
  标题:Improvement Of The Synthetic Process Of 3,4,5-Trimethoxybenzaldehyde
  作者:Dai,Yong
  参考文献:Yancheng Gongxueyuan Xuebao 日期:2007 卷标:20(4) 页码:1-3]
  
  352652-95-0 = 86-81-7
  反应条件:1.1 Reagents: Cetyltrimethylammonium Tribromide Solvents: Dichloromethane
  标题:An Expedient And Efficient Method For The Cleavage Of Dithioacetals To The Corresponding Carbonyl Compounds Using Organic Ammonium Tribromide (Oatb)
  作者:Mondal,Ejabul; Et Al
  参考文献:Synlett 日期:2001 卷标:(6) 页码:785-786]
  
  352652-95-0 = 86-81-7
  反应条件:1.1 Reagents: Vanadium Oxide (V2O5),Hydrogen Peroxide,Ammonium Bromide Solvents: Water
  标题:A Useful And Environmentally Benign Synthetic Protocol For Dethiolization By Employing Vanadium Pentoxide Catalyzed Oxidation Of Ammonium Bromide By Hydrogen Peroxide
  作者:Mondal,Ejabul; Et Al
  参考文献:Chemistry Letters 日期:2001 卷标:(11) 页码:1158-1159]
  
  57009-70-8 = 86-81-7
  反应条件:1.1 Reagents: Acetyl Chloride,Sodium Nitrite Solvents: Dichloromethane; 10 Min,0 - 5 °C1.2 Solvents: Dichloromethane; 5 Min,0 - 5 °C1.3 Reagents: Water; 5 °C -> Rt; 20 Min,Rt
  标题:A Highly Efficient Procedure For Regeneration Of Carbonyl Groups From Their Corresponding Oxathioacetals And Dithioacetals Using Sodium Nitrite And Acetyl Chloride In Dichloromethane
  作者:Khan,Abu T.; Et Al
  参考文献:Synlett 日期:2003 卷标:(3) 页码:377-381]
  
  57009-70-8 = 86-81-7
  反应条件:1.1 Reagents: Iron(3+),Tris(2,2′-Bipyridine-Kn1,Kn1′)-,(Oc-6-11)-,Perchlorate (1:3),Tetrafluoroboric Acid Solvents: Acetonitrile,Water
  标题:Convenient And Mild Dethioacetalization Method Using [fe(Bpy)3(Clo4)3.3H2O]
  作者:Murase,Masayuki; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1986 卷标:34(9) 页码:3595-8]
  
  134-96-3 = 86-81-7
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Potassium Iodide Solvents: Dimethylformamide; Overnight,Rt1.2 Solvents: Water; Rt
  标题:Rationally Designed Molecules For Resurgence Of Cyanide Mitigated Cytochrome C Oxidase Activity
  作者:Kaur,Harpreet; Et Al
  参考文献:Bioorganic Chemistry 日期:2019 卷标:82 页码:229-240]
  
  188493-61-0 = 86-81-7
  反应条件:1.1 Catalysts: Iron Chloride (Fecl3)
  标题:Ferric Chloride Induced Catalytic Cleavage Of Oximes And Hydrazones Under Solvent-Free Conditions
  作者:Bose,D. Subhas; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2001 卷标:(8) 页码:719-721]
  
  188493-61-0 = 86-81-7
  反应条件:1.1 Reagents: 1-Hydroxy-1,2-Benziodoxol-3(1H)-One 1-Oxide Solvents: Dimethyl Sulfoxide,Tetrahydrofuran1.2 Reagents: Water
  标题:A Mild And Versatile Method For The Oxidative Cleavage Of Oximes And Tosylhydrazones To Carbonyl Compounds
  作者:Bose,D. Subhas; Et Al
  参考文献:Synlett 日期:1998 卷标:(9) 页码:977-978]
  
  1916-07-0 = 86-81-7
  反应条件:1.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt2.1 Reagents: Pyridinium Chlorochromate; 2 H,10 - 25 °C
  标题:Fluorinated Benzylidene Indanone Exhibits Antiproliferative Activity Through Modulation Of Microtubule Dynamics And Antiangiogenic Activity
  作者:Srivastava,Ankita; Et Al
  参考文献:European Journal Of Pharmaceutical Sciences 日期:2020 卷标:154]
  
  439598-19-3 = 86-81-7
  反应条件:1.1 Catalysts: Alumina,Iodine Solvents: Ethanol; 10 Min,Rt1.2 Reagents: Water; 15 Min,Rt
  标题:Iodine-Alumina As An Efficient And Useful Catalyst For The Regeneration Of Carbonyl Functionality From The Corresponding 1,3-Oxathiolanes And 1,3-Dithiolanes In Aqueous System
  作者:Rohman,Rumum Md.; Et Al
  参考文献:Tetrahedron Letters 日期:2010 卷标:51(21) 页码:2862-2864]
  
  439598-19-3 = 86-81-7
  反应条件:1.1 Catalysts: Ethanaminium,N,N,N-Trimethyl-1-Oxo-,(Tribromide) Solvents: Dichloromethane
  标题:A Useful And Convenient Synthetic Protocol For Interconversion Of Carbonyl Compounds To The Corresponding 1,3-Oxathiolanes And Vice Versa Employing Organic Ammonium Tribromide (Oatb)
  作者:Mondal,Ejabul; Et Al
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(15) 页码:2843-2846]
  
  39201-89-3 = 86-81-7
  反应条件:1.1 Catalysts: Iron Chloride (Fecl3) Solvents: Benzene
  标题:Selective Regeneration Of Carbonyl Compounds From Aldoximes And Ketoximes,Catalyzed By Fecl3 And Seo2
  作者:Hangarge,R. V.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2002 卷标:(6) 页码:1302-1304]
  
  3840-31-1 = 86-81-7
  反应条件:1.1 Reagents: Potassium Hydroxide,Oxygen Catalysts: Carbon,Nickel Platinum Alloy (Supported By Carbon Nanotube) Solvents: Toluene; 2 H,80 °C
  标题:Single-Walled Carbon Nanotube Supported Ptni Nanoparticles (Ptni@swcnt) Catalyzed Oxidation Of Benzyl Alcohols To The Benzaldehyde Derivatives In Oxygen Atmosphere
  作者:Goksu,Haydar; Et Al
  参考文献:Scientific Reports 日期:2020 卷标:10(1)]
  
  3840-31-1 = 86-81-7
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 2145138-84-5 Solvents: Water; 1 H,70 °C
  标题:Direct Oxidation Of Alcohols Catalysed By Heterometallic Complex [cuni(Bz)3(Bpy)2]Clo4 To Aldehydes And Ketones Mediated By Hydrogen Peroxide As A Terminal Oxidant
  作者:Asthana,Mrityunjaya; Et Al
  参考文献:Inorganica Chimica Acta 日期:2020 卷标:502]
  
  3840-31-1 = 86-81-7
  反应条件:1.1 Reagents: Tert-Butyl Nitrite,Oxygen Catalysts: Bis[1,3-Dihydro-1,1,3,3-Tetramethyl-4-(4-Pyridinyl-Kn)-7-(4-Pyridinyl)-2H-Isoind... Solvents: 1,1,2,2-Tetrachloroethane-D2; 3 H,80 °C
  标题:A Crystalline Porous Coordination Polymer Decorated With Nitroxyl Radicals Catalyzes Aerobic Oxidation Of Alcohols
  作者:Li,Liangchun; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2014 卷标:136(21) 页码:7543-7546]
  
  3840-30-0 = 86-81-7
  反应条件:1.1 Reagents: Periodic Acid (H5Io6) Catalysts: Vanadium Oxide (V2O5) Solvents: 1-Butyl-4-Methylpyridinium Hexafluorophosphate; Rt; 3 H,50 °C
  标题:Efficient And Convenient Oxidation Of Organic Halides To Aldehydes And Ketones Catalyzed By H5Io6/v2O5 In Ionic Liquid [bmpy][pf6]
  作者:Hu,Yu-Lin; Et Al
  参考文献:Journal Of The Chinese Chemical Society (Taipei 日期:2010 卷标:57(1) 页码:28-33]
  
  6024-55-1 = 86-81-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:A Ligand-Free,Powerful,And Practical Method For Methoxylation Of Unactivated Aryl Bromides By Use Of The Cucl/hcoome/meona/meoh System
  作者:Guo,Ying; Et Al
  参考文献:Research On Chemical Intermediates 日期:2015 卷标:41(11) 页码:8651-8664]
  
  6443-69-2 = 86-81-7
  反应条件:1.1 Reagents: Potassium Persulfate,Poly(Methylhydrosiloxane) Catalysts: Ferrocene,Iron(Ii) Phthalocyanine Solvents: Acetonitrile,Water; 6 H,80 °C
  标题:Bio-Inspired Iron-Catalyzed Oxidation Of Alkylarenes Enables Late-Stage Oxidation Of Complex Methylarenes To Arylaldehydes
  作者:Hu,Penghui; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-9]
  
  6443-69-2 = 86-81-7
  反应条件:1.1 Reagents: Cobalt Diacetate,Manganese Diacetate,Oxygen
  标题:The Selective Liquid-Phase Oxidation Of 3,4,5-Trimethoxytoluene To 3,4,5-Trimethoxybenzaldehyde
  作者:Kitajima,Nobumasa; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(3) 页码:1035-7]
  
  82073-55-0 = 86-81-7
  反应条件:1.1 Catalysts: Molybdenum Oxide (Moo3),Silica Solvents: Acetone,Water; 51 Min,110 °C
  标题:Protection And Deprotection Of Acetals By Using Moo3/sio2
  作者:Bhosale,Rajesh; Et Al
  参考文献:Synthetic Communications 日期:2006 卷标:36(5) 页码:659-663]
  
  134-96-3 = 86-81-7 [标题:Reaction Conditions
  标题:An Efficient Synthesis Of 3,4,5-Trimethoxybenzaldehyde From Vanillin
  作者:Rao,Durvasula V.; Et Al
  参考文献:Synthesis 日期:1983 卷标:(4)]
  
  352652-95-0 = 86-81-7
  反应条件:1.1 Reagents: Acetyl Chloride,Sodium Nitrite Solvents: Dichloromethane; 10 Min,0 - 5 °C1.2 Solvents: Dichloromethane; 5 Min,0 - 5 °C1.3 Reagents: Water; 5 °C -> Rt; 20 Min,Rt
  标题:A Highly Efficient Procedure For Regeneration Of Carbonyl Groups From Their Corresponding Oxathioacetals And Dithioacetals Using Sodium Nitrite And Acetyl Chloride In Dichloromethane
  作者:Khan,Abu T.; Et Al
  参考文献:Synlett 日期:2003 卷标:(3) 页码:377-381]
  
  57009-70-8 = 86-81-7
  反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Dichloromethane
  标题:An Expedient And Efficient Method For The Cleavage Of Dithioacetals To The Corresponding Carbonyl Compounds Using Organic Ammonium Tribromide (Oatb)
  作者:Mondal,Ejabul; Et Al
  参考文献:Synlett 日期:2001 卷标:(6) 页码:785-786]
  
  134-96-3 = 86-81-7
  反应条件:1.1 Catalysts: Ferrous Ammonium Sulfate Hexahydrate Solvents: Dichloromethane; 5 Min,28 °C1.2 Reagents: Tetrabutylammonium Hydroxide Solvents: Water; 12 H,28 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,28 °C
  标题:Quantitative Methylation Of Lignin Monomers Using Tetrabutylammonium Hydroxide And Mei And Applications In Organic Synthesis
  作者:Zuo,Yajie; Et Al
  参考文献:Acs Omega 日期:2023 卷标:8(7) 页码:7057-7062]
  
  134-96-3 = 86-81-7
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Potassium Iodide Solvents: Dimethylformamide; Overnight,Rt1.2 Reagents: Water
  标题:Rationally Designed Circularly Arranged Sextuple Molecule With Dimethoxyphenolic Tentacles For Ample Hunting Of Cyanide
  作者:Singh,Palwinder ; Et Al
  参考文献:Acs Omega 日期:2018 卷标:3(7) 页码:8003-8008]
  
  81340-18-3 = 86-81-7
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Efficient Synthesis Of 3,4,5-Trimethoxybenzaldehyde Via Reissert Aldehyde Synthesis
  作者:Schwartz,Alan
  参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(11) 页码:2213-14]
  
  188493-61-0 = 86-81-7
  反应条件:1.1 Reagents: Acetic Acid,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Water
  标题:Facile Oxidative Cleavage Of Semicarbazones,Tosylhydrazones And Phenylhydrazones With Oxone
  作者:Bose,D. Subhas; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1999 卷标:(7) 页码:835-836]
  
  1916-07-0 = 86-81-7
  反应条件:1.1 Reagents: Vitride Solvents: Toluene,Morpholine
  标题:Reductions By Metal Alkoxyaluminum Hydrides. Part Ii. Carboxylic Acids And Derivatives,Nitrogen Compounds,And Sulfur Compounds
  作者:Malek,Jaroslav
  参考文献:Organic Reactions (Hoboken 日期:1988 卷标:36]
  
  1916-07-0 = 86-81-7
  反应条件:1.1 Reagents: Hydrazine Solvents: Water; Reflux1.2 Reagents: Ammonium Hydroxide,Potassium Ferricyanide Catalysts: Tetrabutylammonium Bromide Solvents: Toluene; Rt
  标题:Synthesis Of Aminoalkyl-Substituted Polymethoxychalcone Derivatives And Their Antiproliferative Activities Against Three Human Cancer Cell Lines
  作者:Chen,Mingxia; Et Al
  参考文献:Chemical Research In Chinese Universities 日期:2016 卷标:32(5) 页码:754-759]
  
  439598-19-3 = 86-81-7
  反应条件:1.1 Reagents: 2-Iodoxybenzoic Acid Catalysts: β-Cyclodextrin Solvents: Water; 25 Min,Rt
  标题:Facile Deprotection Of 1,3-Oxathiolanes To Carbonyl Compounds With O-Iodoxy Benzoic Acid (Ibx) In The Presence Of β-Cyclodextrin In Water
  作者:Reddy,M. Somi; Et Al
  参考文献:Synthetic Communications 日期:2006 卷标:36(24) 页码:3771-3775]
  
  25245-29-8 + 82102-37-2 = 86-81-7
  反应条件:1.1 Reagents: Potassium Formate,Methyldicyclohexylamine Catalysts: Tetrabutylammonium Iodide,Dichloro[(1,2,5,6-η)-1,5-Cyclooctadiene]Palladium,Bis(Dibenzylideneacetone)Palladium,Phosphine,Tricyclohexyl-,Tetrafluoroborate(1-) (1:1),Tri-Tert-Butylphosphonium Tetrafluoroborate Solvents: Acetonitrile; 18 H,Rt -> 80 °C
  标题:Reductive Carbonylation Of Aryl Halides Employing A Two-Chamber Reactor: A Protocol For The Synthesis Of Aryl Aldehydes Including 13C- And D-Isotope Labeling
  作者:Korsager,Signe; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(12) 页码:6112-6120]
  
  39201-89-3 = 86-81-7
  反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: Water
  标题:Rapid And Selective Regeneration Of Carbonyl Compounds From Their Oximes Under Mild,Neutral And Solvent-Free Conditions
  作者:Bandgar,B. P.; Et Al
  参考文献:Organic Preparations And Procedures International 日期:2000 卷标:32(4) 页码:391-394]
  
  39201-89-3 = 86-81-7
  反应条件:1.1 Catalysts: Antimony Pentachloride Solvents: Dichloromethane; 0 °C; 2 H,Rt
  标题:Antimony Pentachloride-Promoted Regeneration Of Carbonyl Compounds From Oximes
  作者:Narsaiah,A. Venkat; Et Al
  参考文献:Synthesis 日期:2003 卷标:(12) 页码:1881-1882

海关参考信息

• 2905110000-甲醇
  2907210001-间苯二酚
  2907221000-对苯二酚
  2912110000-甲醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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