CAS: 819058-34-9; 2-Fluoro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Aniline

• 英文名称2-Fluoro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Aniline
• 中文名称4-氨基-3-氟苯硼酸频那醇酯
• IUPAC名称2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• 其它别名2-氟-4-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)苯胺; 4-Amino-3-Fluorophenylboronic Acid, Pinacol Ester
• CAS编号819058-34-9
• MFCD编号:MFCD09033884
• EINECS号:690-889-7
• 分子式:C12H17BFNO2
• 分子量:237.08
• 产品CID: 1811150
• 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: AIXGNRNTXUKZLC-UHFFFAOYSA-N
• InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3…
• 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101 °C
• 沸点333.5°C at 760 mmHg
• 闪点155.5 °C
• 密度1.11g/cm3
• pKa:2.84±0.10(预测)
• PSA:44.48
• LogP:1.7071
• 折射率1.504
• 蒸汽压0.000136 mmHg at 25 °C
• 溶解性Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
• 敏感性空气敏感
• 外观形态浅橙色至浅棕色固体
• 储存条件置于阴暗处,密封, 常温干燥保存

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)
  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
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xn
• 安全声明H315 (100%)H319 (100%)H335 (100%)
• 危险类别码22

欧盟法规

上下游产品

合成工艺路线路线简述

• 73183-34-3 + 2369-13-3 = 819058-34-9
  反应条件:1.1 Reagents: Tert-Butyl Nitrite Catalysts: Benzoyl Peroxide Solvents: Acetonitrile; 4 H,Rt2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 4 H,Rt
  标题:Synthesis Of Trimethylstannyl Arylboronate Compounds By Sandmeyer-Type Transformations And Their Applications In Chemoselective Cross-Coupling Reactions
  作者:Qiu,Di; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(5) 页码:1979-1988]
  
  13010-31-6 + 73183-34-3 = 819058-34-9 + 1003575-43-6
  反应条件:1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]Di-μ-Methoxydiiridium,4,4′-Dimethoxy-2,2′-Bipyridine Solvents: 1,4-Dioxane; 36 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Ph 1 - 2,60 °C -> Rt
  标题:Para-Selective,Iridium-Catalyzed C-H Borylations Of Sulfated Phenols,Benzyl Alcohols,And Anilines Directed By Ion-Pair Electrostatic Interactions
  作者:Montero Bastidas,Jose R.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(39) 页码:15483-15487]
  
  1941-30-6 = 819058-34-9 + 1003575-43-6
  反应条件:1.1 Reagents: Pyridine,Sulfur Trioxide-Pyridine Solvents: Dichloromethane; 18 H,Rt; 1 H,40 °C1.2 1 H,Rt2.1 Catalysts: Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]Di-μ-Methoxydiiridium,4,4′-Dimethoxy-2,2′-Bipyridine Solvents: 1,4-Dioxane; 36 H,60 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Ph 1 - 2,60 °C -> Rt
  标题:Para-Selective,Iridium-Catalyzed C-H Borylations Of Sulfated Phenols,Benzyl Alcohols,And Anilines Directed By Ion-Pair Electrostatic Interactions
  作者:Montero Bastidas,Jose R.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(39) 页码:15483-15487]
  
  367-24-8 + 25015-63-8 = 819058-34-9
  反应条件:1.1 Reagents: Triethylamine,Nickel Dichloride Solvents: 1,4-Dioxane; 0.5 H,Rt
  标题:Synthesis,Crystal Structure,And Dft Study Of N-(2-Fluoro-4-(4,4,5,5- Tetramethyl-1,3,2-Dioxin-2-Yl)Phenyl)- 3-Methyl-Butanamide
  作者:Guo,Q.; Et Al
  参考文献:Journal Of Structural Chemistry 日期:2022 卷标:63(1) 页码:100-113]
  
  939968-60-2 = 819058-34-9
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 4 H,Rt
  标题:Synthesis Of Trimethylstannyl Arylboronate Compounds By Sandmeyer-Type Transformations And Their Applications In Chemoselective Cross-Coupling Reactions
  作者:Qiu,Di; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(5) 页码:1979-1988]
  
  73183-34-3 + 29632-74-4 = 819058-34-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane; 12 H,Rt -> 90 °C
  标题:Discovery Of Pyrrolo[2,3-D]Pyrimidine Derivatives As Potent Axl Inhibitors: Design,Synthesis And Biological Evaluation
  作者:Xu,Dandan; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:220

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
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• ➥ REACH监管