CAS: 88-13-1; Thiophene-3-Carboxylic Acid

• 英文名称Thiophene-3-Carboxylic Acid
• 中文名称3-噻吩甲酸
• IUPAC名称thiophene-3-carboxylic acid
• 其它别名3-Thiophene Carboxylic Acid; Beta-Thiophenic Acid; Thiophene-3-Carboxylicacid; Thiophene-3-Carboxylic Acid; Ynvomsditjmnet-Uhfffaoysa-; Thiophen-3-Carboxylic Acid; 3-Thenoic Acid [mi]; Thiophene-3-Formic Acid; 3-Then
• CAS编号88-13-1
• MFCD编号:MFCD00005467
• EINECS号:201-802-5
• FDA UNII编号:6V3012Q6BE
• 分子式:C5H4O2S
• 分子量:128.15
• 产品CID: 1890466
• 产品分类医药中间体 → 噻吩类化合物

• 相似结构搜索
• InChIKey: YNVOMSDITJMNET-UHFFFAOYSA-N
• InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点136-141  °C(文献)
• 沸点271.1±13.0 °C at 760 mmHg
• 闪点117.8±19.8 °C
• 密度1.4±0.1 g/cm3
• pKa:4.1(at 25°C)
• PSA:65.54
• LogP:1.5
• 折射率1.607
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Water: Soluble0.2G/10 Ml, Clear To Almost Clear, Colorless To Slightly Brownish-Yellow
• 外观形态白色至微黄色结晶粉末
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于开发一个有用的D-氨基酸抑制剂诊所的提货化合物,并有可能断裂,因为活动场地证明可以说明D-米基酸的结构功能关系.
• 性质描述熔点137-141°C,水溶性4.3g/L

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
  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.
• 防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-24/25-37/39-26-36
• 危险类别码36/37/38
• WGK Germany3.0

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-Thiophenezoic Acid 主要起始原料 3-Thiophenecarboxaldehyde
• 71637-34-8 = 88-13-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Dibromo[1,1′-Oxybis[ethane]]Magnesium Solvents: Ethyl Acetate; 10 H
  标题:Aerobic Oxidation Of Alcohols Under Visible Light Irradiation Of Fluorescent Lamp
  作者:Hirashima,Shin-Ichi; Et Al
  参考文献:Green Chemistry 日期:2007 卷标:9(4) 页码:318-320]
  
  498-62-4 = 88-13-1
  反应条件:1.1 Reagents: Sodium Hydroxide,Silver Oxide (Ag2O) Solvents: Water
  标题:3-Thenoic Acid
  作者:Campaigne,E. E.; Et Al
  参考文献:Organic Syntheses 日期:1953 卷标:33 页码:94-5]
  
  498-62-4 = 88-13-1
  反应条件:1.1 Reagents: Silver Oxide (Ag2O) Solvents: Water
  标题:3-Substituted Thiophenes
  作者:Campaigne,E.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1948 卷标:70 页码:1555-8]
  
  872-31-1 = 88-13-1
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane) Catalysts: Cupric Acetate,1,2-Bis(Diphenylphosphino)Benzene Solvents: 1,4-Dioxane; 20 Min,Rt -> 65 °C1.2 Reagents: Triethylamine Catalysts: Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Toluene; 7 H,Rt -> 100 °C; 100 °C -> Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt
  标题:Tandem One-Pot Co2 Reduction By Pmhs And Silyloxycarbonylation Of Aryl/vinyl Halides To Access Carboxylic Acids
  作者:Paridala,Kumaraswamy; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(82) 页码:11574-11577]
  
  872-31-1 = 88-13-1
  反应条件:1.1 Reagents: Butyllithium Solvents: Diethyl Ether; 30 Min,-80 °C1.2 -1.3 Reagents: Hydrogen Ion Solvents: Water
  标题:Tuning Of Electronic Properties Of Novel Donor-Acceptor Polymers Containing Oligothiophenes With Electron-Withdrawing Ester Groups
  作者:Imae,Ichiro; Et Al
  参考文献:Polymer Bulletin (Heidelberg 日期:2021 卷标:78(5) 页码:2341-2355]
  
  10486-61-0 = 88-13-1
  反应条件:1.1 Reagents: Triethylamine,Dicyclohexylcarbodiimide Catalysts: Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Dimethylformamide; 10 H,80 °C
  标题:Palladium-Catalyzed Ligand-Controlled Selective Synthesis Of Aldehydes And Acids From Aryl Halides And Formic Acid
  作者:Wu,Fu-Peng; Et Al
  参考文献:Chemcatchem 日期:2017 卷标:9(16) 页码:3121-3124]
  
  905966-46-3 = 88-13-1
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: [1,3-Bis[2,6-Bis(Diphenylmethyl)-4-Methylphenyl]-1,3-Dihydro-2H-Imidazol-2-Ylide... Solvents: Toluene; 100 °C; 15 H,1 Atm,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; Rt
  标题:Nickel-Catalysed Carboxylation Of Organoboronates
  作者:Makida,Yusuke; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(59) 页码:8010-8013]
  
  905966-46-3 = 88-13-1
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Silver Acetate,Triphenylphosphine Solvents: 1,4-Dioxane; 8 H,20 Atm,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Silver(I)-Catalyzed Carboxylation Of Arylboronic Esters With Co2
  作者:Zhang,Xiao; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(50) 页码:6292-6294]
  
  67237-53-0 = 88-13-1
  反应条件:1.1 Reagents: Sodium Bicarbonate,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Ruthenium Solvents: Acetonitrile,Water; 8 H,Rt
  标题:An Improved Protocol For The Oxidative Cleavage Of Alkynes,Alkenes,And Diols With Recyclable Ru/c
  作者:Vijay,Kumar A.; Et Al
  参考文献:Synlett 日期:2009 卷标:(5) 页码:739-742]
  
  10486-61-0 = 88-13-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate Solvents: Water,Polyethylene Glycol; 12 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Ligand-Free Palladium-Catalyzed Hydroxycarbonylation Of Aryl Halides Under Ambient Conditions: Synthesis Of Aromatic Carboxylic Acids And Aromatic Esters
  作者:Han,Wei; Et Al
  参考文献:Synthesis 日期:2015 卷标:47(13) 页码:1861-1868]
  
  = 88-13-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Cobalt Diacetate,Manganese Diacetate,Sodium Bromide Solvents: Acetic Acid
  标题:Preparation Of Thiophenecarboxylic Acids
  参考文献:Japan]
  
  = 88-13-1
  反应条件:1.1 Reagents: P-Xylene
  标题:Enzymic Oxidation Of Methyl Groups In Heteroarenes: A Versatile Method For The Preparation Of Heteroaromatic Carborylic Acids
  作者:Kiener,Andreas
  参考文献:Angewandte Chemie 日期:1992 卷标:104(6) 页码:748-9]
  
  17249-80-8 = 88-13-1
  反应条件:1.1 Reagents: Tetraethylammonium Iodide,1,5,7-Triazabicyclo[4.4.0]Dec-5-Ene Catalysts: Naphthalene Solvents: Dimethylformamide; 6 H,1 Atm,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Metal-Free Electrochemical Carboxylation Of Organic Halides In The Presence Of Catalytic Amounts Of An Organomediator
  作者:Wang,Yanwei; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(41)]
  
  59337-81-4 = 88-13-1
  反应条件:1.1 Reagents: Sodium Hydroxide,Sodium Bisulfite,Cuprous Chloride Solvents: Water
  标题:Synthesis Of Novel Substituted Thienothiazines
  作者:Punk,Peter
  参考文献:1977]
  
  872-31-1 + 144-62-7 = 88-13-1
  反应条件:1.1 Reagents: Acetic Anhydride,Diisopropylethylamine Catalysts: Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Dimethylformamide; 6 H,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; Acidified
  标题:Oxalic Acid As The In Situ Carbon Monoxide Generator In Palladium-Catalyzed Hydroxycarbonylation Of Arylhalides
  作者:Shao,Changdong; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2017 卷标:15(23) 页码:5033-5040]
  
  14596-82-8 = 88-13-1
  反应条件:1.1 Catalysts: Benzene
  标题:Photolyses Of Bis(2-Thiophenecarbonyl) And Bis(3-Thiophenecarbonyl) Peroxides In Benzene. Production Of Biphenyl From The Solvent Benzene Controlled By The Photolysis Rate
  作者:Urano,Toshiyuki; Et Al
  参考文献:Chemistry Letters 日期:1983 卷标:(6) 页码:867-70]
  
  71637-34-8 = 88-13-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,1-Hydroxycyclohexyl Phenyl Ketone Solvents: Dichloromethane,Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Oxidation Of Primary Alcohols And Aldehydes To Carboxylic Acids With 1-Hydroxycyclohexyl Phenyl Ketone
  作者:Lu,Yi; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(13) 页码:8114-8122]
  
  71637-34-8 = 88-13-1
  反应条件:1.1 Catalysts: Oxygen,Hydrogen Bromide Solvents: Ethyl Acetate; 10 H
  标题:Aerobic Photo-Oxidation Of Alcohols In The Presence Of A Catalytic Inorganic Bromo Source
  作者:Hirashima,Shin-Ichi; Et Al
  参考文献:Tetrahedron 日期:2006 卷标:62(33) 页码:7887-7891]
  
  498-62-4 = 88-13-1
  反应条件:1.1 Reagents: Silver Oxide (Ag2O) Solvents: Water; Cooled; 3 Min; 30 Min
  标题:Substituent Effect On The Optoelectronic Properties Of Alternating Fluorene-Thiophene Copolymers
  作者:Pal,Bikash; Et Al
  参考文献:Macromolecules (Washington 日期:2007 卷标:40(23) 页码:8189-8194]
  
  10486-61-0 = 88-13-1
  反应条件:1.1 Reagents: Triethylamine Catalysts: Dicyclohexylcarbodiimide,Palladium Diacetate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Dimethylformamide; 20 H,100 °C
  标题:Palladium-Catalyzed Carbonylative Transformation Of Organic Halides With Formic Acid As The Coupling Partner And Co Source: Synthesis Of Carboxylic Acids
  作者:Wu,Fu-Peng; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(18) 页码:9710-9714]
  
  905966-46-3 = 88-13-1
  反应条件:1.1 Reagents: Cesium Fluoride Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]Di-μ-Hydroxydirhodium Solvents: 1,4-Dioxane; 10 - 30 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Rhodium(I)-Catalyzed Carboxylation Of Aryl- And Alkenylboronic Esters With Co2
  作者:Ukai,Kazutoshi; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2006 卷标:128(27) 页码:8706-8707]
  
  67237-53-0 = 88-13-1
  反应条件:1.1 Reagents: Water,Oxygen Catalysts: Carbon Tetrabromide Solvents: Ethyl Acetate; 20 H
  标题:Catalytic Aerobic Photooxidative Cleavage Of Carbon-Carbon Triple Bonds Using Carbon Tetrabromide
  作者:Yamaguchi,Tomoaki; Et Al
  参考文献:Synlett 日期:2013 卷标:24(5) 页码:607-610]
  
  10486-61-0 = 88-13-1
  反应条件:1.1 Reagents: Cesium Fluoride,7,7,8,8-Tetraethylbicyclo[4.2.0]Disil-1,3,5-Triene Solvents: Dimethylformamide; 1 Atm,0 °C; 2 H,1 Atm,Rt
  标题:A Strained Disilane-Promoted Carboxylation Of Organic Halides With Co2 Under Transition-Metal-Free Conditions
  作者:Mita,Tsuyoshi; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(21) 页码:5276-5279]
  
  = 88-13-1
  反应条件:1.1 Reagents: Sodium Dichromate Solvents: Water; 8 H,200 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Oxidation Of Methylthiophenes To Thiophenecarboxylic Acids
  作者:Kim,Su Jin; Et Al
  参考文献:Bulletin Of The Korean Chemical Society 日期:2009 卷标:30(11) 页码:2789-2791]
  
  3115-63-7 = 88-13-1
  反应条件:1.1 Reagents: Cesium Carbonate,Oxygen Catalysts: 2-Chloroanthraquinone Solvents: Acetone; 20 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Aerobic Photooxidative Cleavage Of 1,3-Diketones To Carboxylic Acids Using 2-Chloroanthraquinone
  作者:Tachikawa,Yuma; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(46) 页码:6218-6221]
  
  3115-63-7 = 88-13-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Iodine Solvents: Ethyl Acetate; 24 H
  标题:Catalytic Oxidative Cleavage Of 1,3-Diketones To Carboxylic Acids By Aerobic Photooxidation With Iodine
  作者:Tada,Norihiro; Et Al
  参考文献:Synlett 日期:2011 卷标:(19) 页码:2896-2900]
  
  6964-21-2 = 88-13-1
  反应条件:1.1 Reagents: Iodine Solvents: Dimethyl Sulfoxide; 26 H,120 °C; 120 °C -> Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Metal-Free Dehomologative Oxidation Of Arylacetic Acids For The Synthesis Of Aryl Carboxylic Acids
  作者:Kalmode,Hanuman P.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(7) 页码:3781-3786]
  
  17249-80-8 = 88-13-1
  反应条件:1.1 Reagents: Tetraethylammonium Iodide,Lithium Acetate,Manganese Catalysts: Cobalt Dibromide,2,9-Dibutyl-4,7-Dimethyl-1,10-Phenanthroline Solvents: Dimethylacetamide; 12 H,1 Atm,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; 10 Min,Rt
  标题:Cobalt-Catalyzed Carboxylation Of Aryl And Vinyl Chlorides With Co2
  作者:Wang,Yanwei; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(92) 页码:14416-14419]
  
  6165-69-1 = 88-13-1
  反应条件:1.1 Reagents: Diethylzinc Solvents: Dimethyl Sulfoxide,Toluene; 16 H,1 Atm,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 5 Min,Rt
  标题:Diethylzinc-Promoted Carboxylation Of Aryl/alkenyl Boronic Acids With Co2
  作者:Tang,Tingyu; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2023 卷标:21(44) 页码:8849-8856]
  
  10486-61-0 = 88-13-1
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: L-Proline,Cuprous Iodide Solvents: Dimethyl Sulfoxide; 24 H,130 °C1.2 Reagents: 2,2′-Anhydrouridine; 12 H,140 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Rt
  标题:Copper-Catalyzed Aerobic Oxidative Synthesis Of Aromatic Carboxylic Acids
  作者:Yang,Daoshan; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2011 卷标:47(8) 页码:2348-2350]
  
  141-97-9 + 6165-69-1 = 88-13-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Cuprous Iodide Solvents: Dimethyl Sulfoxide; 24 H,100 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Copper-Catalyzed Synthesis Of Aromatic Carboxylic Acids From Arylboronic Acids And Acetyl Acetate
  作者:Zheng,Rui; Et Al
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(41) 页码:5671-5675]
  
  10486-61-0 + 144-62-7 = 88-13-1
  反应条件:1.1 Reagents: Acetic Anhydride,Diisopropylethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 H,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; Acidified
  标题:Oxalic Acid As The In Situ Carbon Monoxide Generator In Palladium-Catalyzed Hydroxycarbonylation Of Arylhalides
  作者:Shao,Changdong; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2017 卷标:15(23) 页码:5033-5040

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• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
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