CAS: 87199-17-5; 4-Formylphenylboronic Acid

• 英文名称4-Formylphenylboronic Acid
• 中文名称4-甲酰苯硼酸
• IUPAC名称(4-formylphenyl)boronic acid
• 其它别名4-甲醛基苯硼酸; 4甲酰苯硼酸; Boronic Acid, (4-Formylphenyl)- (9Ci); 4-Formylbenzeneboronic Acid; 4-Formylbenzeneboronic Acid (Contains Varying Amounts Of Anhydride); 4-Formylphenylboronic Acid
• CAS编号87199-17-5
• MFCD编号:MFCD00151823
• EINECS号:617-982-7
• FDA UNII编号:Z4V1TO2DWR
• 分子式:C7H7BO3
• 分子量:149.94
• 产品CID: 1877792
• 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
• 产品信息参考
• InChIKey: VXWBQOJISHAKKM-UHFFFAOYSA-N
• VXWBQOJISHAKKM-UHFFFAOYSA-N…
• 计算化学: 氢键受体数3.0氢键供体数2可旋转键数2

物理性质

• 熔点237-242°C
• 沸点347.6±44.0 °C at 760 mmHg
• 闪点164.0±28.4 °C
• 密度1.2±0.1 g/cm3
• PH:5.5 (1g/l, H2O, 20°C)
• pKa:7.34±0.10(预测)
• PSA:57.53
• LogP:-0.8211
• 折射率1.548
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性<10G/l
• 敏感性空气敏感
• 外观形态透明无色至黄橙色液体
• 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作该化合物用作合成(E)-4'-(2--2-二基-基尼基)-苯-4-碳丁二烯和氟乙烯衍生物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤致敏 类别1
  皮肤腐蚀 类别1B
  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
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H314 |造成严重皮肤灼伤和眼损伤.
  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-P272-P280-P302+P352-P362+P364
• 危险等级IRRITANT, AIR SENSITIVE
• UN编号UN 1759 8/PG 3
• 危险品标志C,Xi
• 风险等级Irritant
• 安全声明22-26-36/37/39-45-37/39-36
• 危险类别码34-36/37/38
• 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 4-Formylphenylboronic Acid 主要起始原料 Boronic Acid, [4-(2-Propenyl)Phenyl]-
• 374564-36-0 = 87199-17-5
  反应条件:1.1 Catalysts: Iron Chloride (Fecl3) Solvents: Tetrahydrofuran,Water; 60 Min,Rt
  标题:Iron Trichloride Promoted Hydrolysis Of Potassium Organotrifluoroborates
  作者:Blevins,David W.; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(49) 页码:6534-6536]
  
  374564-36-0 = 87199-17-5
  反应条件:1.1 Reagents: Alumina Solvents: Water; 15 Min,70 °C
  标题:Thermal And Microwave Hydrolysis Of Organotrifluoroborates Mediated By Alumina
  作者:Kabalka,George W.; Et Al
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(46) 页码:6271-6272]
  
  1122-91-4 = 87199-17-5
  反应条件:1.1 Reagents: Diisopropylethylamine,Diboronic Acid Catalysts: (Sp-4-1)-Bis[4-[bis(1,1-Dimethylethyl)Phosphino-Kp]-N,N-Dimethylbenzenamine]Dich... Solvents: Methanol,2-Methyltetrahydrofuran; Rt -> 55 °C
  标题:Development Of A Concise Multikilogram Synthesis Of Lpa-1 Antagonist Bms-986020 Via A Tandem Borylation-Suzuki Procedure
  作者:Smith,Michael J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(11) 页码:1859-1863]
  
  59016-93-2 = 87199-17-5
  反应条件:1.1 Reagents: 1-Hydroxy-1,2-Benziodoxol-3(1H)-One 1-Oxide Solvents: Dimethyl Sulfoxide; 5 H,Rt
  标题:Multistep Phase-Switch Synthesis By Using Liquid-Liquid Partitioning Of Boronic Acids: Productive Tags With An Expanded Repertoire Of Compatible Reactions
  作者:Mothana,Sam; Et Al
  参考文献:Angewandte Chemie 日期:2010 卷标:49(16) 页码:2883-2887]
  
  5720-05-8 = 87199-17-5
  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]
  
  61568-51-2 = 87199-17-5
  反应条件:1.1 Reagents: 1,2-Dibromoethane,Magnesium Solvents: Tetrahydrofuran1.2 Reagents: Trimethyl Borate Solvents: Tetrahydrofuran1.3 Reagents: Ammonium Chloride1.4 Solvents: Water1.5 Reagents: Hydrochloric Acid
  标题:A High-Yield Synthesis Of 4-Borono-Dl-Phenylalanine
  作者:Park,Ki Chul; Et Al
  参考文献:Synthesis 日期:1999 卷标:(12) 页码:2041-2044]
  
  10602-01-4 = 87199-17-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; 60 Min,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C; 12 H,-78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Rt
  标题:Complete Monitoring Of Coherent And Incoherent Spin Flip Domains In The Recombination Of Charge-Separated States Of Donor-Iridium Complex-Acceptor Triads
  作者:Klein,Johannes H.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(34) 页码:11011-11021]
  
  10602-01-4 = 87199-17-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -80 °C; 2 H,-80 °C1.2 Reagents: Triisopropyl Borate; -80 °C -> Rt; Overnight,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Rt
  标题:Superaromatic Terpyridines Based On Corannulene Responsive To Metal Ions
  作者:Wu,Difeng; Et Al
  参考文献:Dalton Transactions 日期:2014 卷标:43(4) 页码:1753-1761]
  
  34421-94-8 + 688-74-4 = 87199-17-5
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran1.2 -1.3 Reagents: Sulfuric Acid Solvents: Water
  标题:Boron Chemistry. 206. Preparation And Structural Characterization Of P-Formylphenylboronic Acid
  作者:Feulner,Herta; Et Al
  参考文献:Chemische Berichte 日期:1990 卷标:123(9) 页码:1841-3]
  
  1072960-66-7 = 87199-17-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 10 Min,23 °C1.2 Solvents: Diethyl Ether,Water; Ph 7,23 °C
  标题:Multistep Synthesis Of Complex Boronic Acids From Simple Mida Boronates
  作者:Gillis,Eric P.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2008 卷标:130(43) 页码:14084-14085]
  
  2156-04-9 = 87199-17-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Carbon Nitride Solvents: Acetonitrile,Water; 10 H,1 Atm,Rt
  标题:Hydroxyl Radical-Mediated Oxidative Cleavage Of C=c Bonds And Further Esterification Reaction By Heterogeneous Semiconductor Photocatalysis
  作者:Wang,Hui; Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(17) 页码:6591-6597]
  
  374564-36-0 = 87199-17-5
  反应条件:1.1 Reagents: Silica,Water Solvents: Water; 24 H,Rt
  标题:Efficient Hydrolysis Of Organotrifluoroborates Via Silica Gel And Water
  作者:Molander,Gary A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(19) 页码:7364-7369]
  
  1033125-51-7 = 87199-17-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 45 Min,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Practical Routes To 2,6-Disubstituted Pyridine Derivatives
  作者:Vandromme,Lucie; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2008 卷标:(12) 页码:2049-2055]
  
  34421-94-8 = 87199-17-5
  反应条件:1.1 Reagents: Magnesium,Vitride Solvents: Tetrahydrofuran1.2 Reagents: Tributyl Borate Solvents: Tetrahydrofuran1.3 Reagents: Sulfuric Acid Solvents: Tert-Butyl Methyl Ether
  标题:Efficient,Simple Procedures For The Large-Scale Preparation Of Building Blocks For Angiotensin(Ii) Receptor Antagonists
  作者:Jendralla,Heiner; Et Al
  参考文献:Liebigs Annalen 日期:1995 卷标:(7) 页码:1253-7]
  
  688-74-4 + 10602-01-4 = 87199-17-5
  反应条件:1.1 Reagents: Magnesium
  标题:Enantioselective Synthesis Of L-(-)-4-Boronophenylalanine (L-Bpa) By Asymmetric Catalytic Hydrogenation
  作者:Samsel,Edward G.; Et Al
  参考文献:Prog. Neutron Capture Ther. Cancer 日期:1992 卷标:251 页码:251-4]
  
  1122-91-4 = 87199-17-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 0.5 S,-30 °C1.2 Reagents: Trimethyl Borate Solvents: Tetrahydrofuran; 0.5 H,-30 °C1.3 Reagents: Citric Acid Solvents: Water; 0 °C
  标题:Flow Chemistry On Multigram Scale: Continuous Synthesis Of Boronic Acids Within 1 S
  作者:Hafner,Andreas; Et Al
  参考文献:Organic Letters 日期:2016 卷标:18(15) 页码:3630-3633]
  
  1122-91-4 = 87199-17-5
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran; Rt; 1 H,Reflux; Reflux -> -55 °C1.2 Reagents: Tripropyl Borate Solvents: Tetrahydrofuran; -55 °C; -55 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:The Effect Of Partially Fluorinated Chain Length On The Mesomorphic Properties Of Chiral 2',3'-Difluoroterphenylates
  作者:Herman,Jakub; Et Al
  参考文献:Liquid Crystals 日期:2020 卷标:47(14-15) 页码:2332-2340]
  
  24856-58-4 = 87199-17-5
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran; -78 °C; 2 H,-80 °C1.2 Reagents: Water1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 14,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 1,Rt
  标题:Click-Immobilized K+-Selective Ionophore For Potentiometric And Optical Sensors
  作者:Liu,Yueling; Et Al
  参考文献:Sensors And Actuators 日期:2012 卷标:171 页码:171-172]
  
  61568-51-2 = 87199-17-5
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran1.2 Reagents: Trimethyl Borate1.3 Reagents: Ammonium Chloride Solvents: Tetrahydrofuran1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:An Improved Total Synthesis Of P-Boronophenylalanine,A Target Compound For Boron Neutron Capture Therapy
  作者:Kimura,Mototetsu; Et Al
  参考文献:Global '99: "Nuclear Technology - Bridging The Millennia" 日期:1999 卷标:1598 页码:1598-1602]
  
  10602-01-4 = 87199-17-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 45 Min,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C -> Rt; Overnight,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Rt
  标题:A New Approach To Combretastatin D2
  作者:Cousin,David; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2006 卷标:4(1) 页码:54-62

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
• 💡 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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