CAS: 936618-92-7; 2-(3-Fluorophenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane

• 英文名称2-(3-Fluorophenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane
• 中文名称2-(3-氟苯基)-4,4,5,5-四甲基-1,3,2-二氧杂硼烷
• IUPAC名称2-(3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 其它别名3-氟苯基硼酸频哪醇酯; 3-Fluorophenylboronic Acid Pinacol Ester
• CAS编号936618-92-7
• MFCD编号:MFCD18375236
• EINECS号:804-750-7
• 分子式:C12H16BFO2分子量:222.07
• 产品CID: 1976442
• 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: VWBPPYBBVMPZOZ-UHFFFAOYSA-N
• InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
• 计算化学: 氢键受体数2.0氢键供体数*可旋转键数1.0

物理性质

• 沸点286.6±23.0 °C at 760 mmHg
• 密度1.05±0.1 g/cm3(预测)
• PSA:18.46
• LogP:2.1249
• 外观形态米色液体
• 储存条件在惰性气体(氮气或氩气)下 2-8°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2A
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
• 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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  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

欧盟法规

上下游产品

合成工艺路线路线简述

• 1121-86-4 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: Diethylzinc Solvents: Tetrahydrofuran,Hexane; 0 °C; 30 Min,Rt1.2 Rt -> 75 °C; 24 H,75 °C1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Design,Generation,And Synthetic Application Of Borylzincate: Borylation Of Aryl Halides And Borylzincation Of Benzynes/terminal Alkyne
  作者:Nagashima,Yuki; Takita,Ryo; Yoshida,Kengo; Hirano,Keiichi; Uchiyama,Masanobu
  参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(50) 页码:18730-18733]
  
  1073-06-9 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Phenothiazine Solvents: Acetonitrile; 48 H
  标题:Visible Light-Induced Borylation Of C-O,C-N,And C-X Bonds
  作者:Jin,Shengfei; Dang,Hang. T.; Haug,Graham C.; He,Ru; Nguyen,Viet D.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2020 卷标:142(3) 页码:1603-1613]
  
  73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Sodium Oxalate,Tripotassium Phosphate Catalysts: 4-Cyanopyridine,2,4,5-Tri-9H-Carbazol-9-Yl-6-(Ethylphenylamino)-1,3-Benzenedicarbonitrile Solvents: Acetonitrile; 24 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Ethyl Acetate,Water; Rt
  标题:Unveiling Extreme Photoreduction Potentials Of Donor-Acceptor Cyanoarenes To Access Aryl Radicals From Aryl Chlorides
  作者:Xu,Jinhui; Cao,Jilei; Wu,Xiangyang; Wang,Han; Yang,Xiaona; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(33) 页码:13266-13273]
  
  76-09-5 + 14874-70-5 + 20460-04-2 = 936618-92-7
  反应条件:1.1 Reagents: N,N-Bis(1-Methylethyl)Boranamine Catalysts: Ferrocene Solvents: Acetonitrile; 2.5 H,Rt1.2 Reagents: Methanol; 0 °C; 1 H,Rt1.3 Solvents: Diethyl Ether; 4 H,Rt
  标题:Iron-Catalyzed Borylation Of Arenediazonium Salts To Give Access To Arylboron Derivatives Via Aryl(Amino)Boranes At Room Temperature
  作者:Marciasini,Ludovic D.; Richy,Nicolas; Vaultier,Michel; Pucheault,Mathieu
  参考文献:Advanced Synthesis & Catalysis 日期:2013 卷标:355(6) 页码:1083-1088]
  
  1073-06-9 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1,4-Dioxane; 17 H,100 °C
  标题:Effect Of Conjugated Small Molecular Electrolytes Based On Carbazole With N And F Atoms For The Automatic Formation Of Electron Transport Layer In Polymer Solar Cell
  作者:Kim,Juae; Kim,Yong Ryun; Kim,Minji; Yoon,Chang Jae; Piao,Junying; Et Al
  参考文献:Synthetic Metals 日期:2021 卷标:275]
  
  73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Tert-Butyl Nitrite Solvents: Acetonitrile
  标题:Direct Synthesis Of Arylboronic Pinacol Esters From Arylamines
  作者:Qiu,Di; Zhang,Yan; Wang,Jianbo
  参考文献:Organic Chemistry Frontiers 日期:2014 卷标:1(4) 页码:422-425]
  
  73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Tert-Butyl Nitrite Solvents: Acetonitrile; 2 H,80 °C
  标题:Synthesis Of Pinacol Arylboronates From Aromatic Amines: A Metal-Free Transformation
  作者:Qiu,Di; Jin,Liang; Zheng,Zhitong; Meng,He; Mo,Fanyang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(5) 页码:1923-1933]
  
  1073-06-9 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethyl Sulfoxide; 48 H,80 °C
  标题:Group 4 Post-Metallocenes Supported By [och2N,C(σ-Aryl)] Auxiliaries Bearing A Seven-Membered Metallacycle: Synthesis,Characterization,And Catalysts For Olefin Polymerization
  作者:Liu,Cham-Chuen; Liu,Qian; Yiu,Shek-Man; Chan,Michael C. W.
  参考文献:Organometallics 日期:2019 卷标:38(15) 页码:2963-2971]
  
  73183-34-3 = 936618-92-7 + 863868-36-4
  反应条件:1.1 Reagents: Cesium Fluoride Catalysts: Bis[1,3-Dihydro-1,3-Bis(2,4,6-Trimethylphenyl)-2H-Imidazol-2-Ylidene]Nickel,1960399-43-2 Solvents: Mesitylene; 6 H,25 °C
  标题:Selective Photocatalytic C-F Borylation Of Polyfluoroarenes By Rh/ni Dual Catalysis Providing Valuable Fluorinated Arylboronate Esters
  作者:Tian,Ya-Ming; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(50) 页码:17612-17623]
  
  73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Sodium Oxalate,4-Cyanopyridine,Tripotassium Phosphate Catalysts: 2,4,5-Tri-9H-Carbazol-9-Yl-6-(Ethylphenylamino)-1,3-Benzenedicarbonitrile Solvents: Acetonitrile; 24 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Ethyl Acetate,Water
  标题:Unveiling Extreme Photoreduction Potentials Of Donor-Acceptor Cyanoarenes To Access Aryl Radicals From Aryl Chlorides
  作者:Xu,Jinhui; Cao,Jilei; Wu,Xiangyang; Wang,Han; Yang,Xiaona; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-7]
  
  1121-86-4 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Pyridine,Cesium Fluoride Solvents: Dimethyl Sulfoxide; Rt -> 105 °C; 2 H,105 °C
  标题:Radical Metal-Free Borylation Of Aryl Iodides
  作者:Pinet,Sandra; Liautard,Virginie; Debiais,Megane; Pucheault,Mathieu
  参考文献:Synthesis 日期:2017 卷标:49(21) 页码:4759-4768]
  
  557087-01-1 + 1073-06-9 = 936618-92-7
  反应条件:1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran; Rt -> 45 °C1.2 Solvents: Tetrahydrofuran; 45 °C; 5 H,45 °C1.3 Solvents: Tetrahydrofuran; 0 - 5 °C; 1 H,0 - 5 °C; 5 °C -> Rt; 2 H,Rt1.4 Reagents: Sodium Chloride Solvents: Water
  标题:Novel Boronizing Reagent Pinacolyl Dimethylamino-Borate,And The Preparation Method And Application Thereof
  参考文献:China]
  
  76-09-5 + 14874-70-5 + 20460-04-2 = 936618-92-7
  反应条件:1.1 Reagents: N,N-Bis(1-Methylethyl)Boranamine Catalysts: Ferrocene Solvents: Acetonitrile; 2.5 H,Rt1.2 Reagents: Methanol; 0 °C; 1 H,Rt1.3 Solvents: Diethyl Ether; 4 H,Rt
  标题:New Process For Preparing Arylboranes,Arylboronates And Mida-Borates By Arylation Of Organoboron Compounds With Aryldiazonium Salts
  参考文献:World Intellectual Property Organization]
  
  76-09-5 + 14874-70-5 + 20460-04-2 = 936618-92-7
  反应条件:1.1 Reagents: N,N-Bis(1-Methylethyl)Boranamine Catalysts: Ferrocene Solvents: Acetonitrile; 2.5 H,Rt1.2 Reagents: Methanol; 0 °C; 1 H,Rt1.3 Solvents: Diethyl Ether; 4 H,Rt
  标题:New Process For Preparing Arylboranes By Arylation Of Organoboron Compounds
  参考文献:European Patent Organization]
  
  1121-86-4 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Catalysts: Bis(Dimethylamino)Methane Solvents: Acetone,Acetonitrile,Water; 15 Min,-5 °C
  标题:Efficient Metal-Free Photochemical Borylation Of Aryl Halides Under Batch And Continuous-Flow Conditions
  作者:Chen,Kai; Zhang,Shuai; He,Pei; Li,Pengfei
  参考文献:Chemical Science 日期:2016 卷标:7(6) 页码:3676-3680]
  
  76-09-5 + 14874-70-5 + 20460-04-2 = 936618-92-7
  反应条件:1.1 Reagents: N,N-Bis(1-Methylethyl)Boranamine Catalysts: Titanocene Dichloride Solvents: Acetonitrile; 2 H,Rt1.2 Solvents: Methanol; 0 °C; 1 H,Rt1.3 Solvents: Diethyl Ether; 4 H,Rt
  标题:Borylation Using Group Iv Metallocene Under Mild Conditions
  作者:Marciasini,Ludovic D.; Vaultier,Michel; Pucheault,Mathieu
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(10) 页码:1702-1705]
  
  73183-34-3 + 37181-39-8 + 45788-92-9 = 936618-92-7
  反应条件:1.1 Reagents: Pyridine Solvents: Acetone,Water; 12 H,Rt
  标题:Redox-Neutral Borylation Of Aryl Sulfonium Salts Via C-S Activation Enabled By Light
  作者:Huang,Chen; Feng,Jie; Ma,Rui; Fang,Shuaishuai; Lu,Tao; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(23) 页码:9688-9692]
  
  1073-06-9 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Chloro[rel-(3Ar,9As)-1,3,3A,4,9,9A-Hexahydro-1,3-Bis(1-Methylethyl)-4,9[1′,2′]-B... Solvents: Tert-Butyl Methyl Ether; 25 °C; 4 H,25 °C1.2 Reagents: Ammonium Chloride Solvents: Water; 0 °C
  标题:A Bicyclic N-Heterocyclic Carbene As A Bulky But Accessible Ligand: Application To The Copper-Catalyzed Borylations Of Aryl Halides
  作者:Ando,Shin; Matsunaga,Hirofumi; Ishizuka,Tadao
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(19) 页码:9671-9681]
  
  73183-34-3 + 372-20-3 = 936618-92-7
  反应条件:1.1 Reagents: Tripotassium Phosphate,Methanaminium,N-[(Dimethylamino)Fluoromethylene]-N-Methyl-,Hexafluorophosphate... Catalysts: Bis(1,5-Cyclooctadiene)Nickel,Tricyclohexylphosphine Solvents: 1,4-Dioxane; 24 H,60 °C
  标题:Ni-Catalyzed Deoxygenative Borylation Of Phenols Via O-Phenyl-Uronium Activation
  作者:Liu,Xiaojie; Xu,Biping; Su,Weiping
  参考文献:Acs Catalysis 日期:2022 卷标:12(15) 页码:8904-8910]
  
  73183-34-3 = 936618-92-7
  反应条件:1.1 Catalysts: Tetramethylammonium Fluoride,Bis[1,3-Dihydro-1,3-Bis(2,4,6-Trimethylphenyl)-2H-Imidazol-2-Ylidene]Nickel Solvents: Methylcyclopentane; 15 H,80 °C
  标题:Preparing (Multi)Fluoroarenes As Building Blocks For Synthesis: Nickel-Catalyzed Borylation Of Polyfluoroarenes Via C-F Bond Cleavage
  作者:Zhou,Jing; Kuntze-Fechner,Maximilian W.; Bertermann,Rudiger; Paul,Ursula S. D.; Berthel,Johannes H. J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2016 卷标:138(16) 页码:5250-5253]
  
  935447-39-5 + 73183-34-3 = 936618-92-7
  反应条件:1.1 Reagents: Silver Phosphate Catalysts: Palladium Chloride,X-Phos Solvents: Acetonitrile; 17 H,80 °C
  标题:Synthesis Of Arylboronates Via The Pd-Catalyzed Desulfitative Coupling Reaction Of Sodium Arylsulfinates With Bis(Pinacolato)Diboron
  作者:Qiu,Di; Li,Songyi; Yue,Guanglu; Mao,Jinshan; Xu,Bei; Et Al
  参考文献:Tetrahedron Letters 日期:2021 卷标:85

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管