CAS: 957062-84-9; 2-Methyl-5-Nitrophenylboronic Acid Pinacol Ester

• 英文名称2-Methyl-5-Nitrophenylboronic Acid Pinacol Ester
• 中文名称4,4,5,5-四甲基-2-(2-甲基-5-硝基苯基)-1,3,2-二氧杂硼烷
• IUPAC名称4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
• 其它别名2-甲基-5-硝基苯基硼酸,频哪醇酯; 2-Methyl-5-Nitrophenylboronic Acid Pinacol Ester
• CAS编号957062-84-9
• MFCD编号:MFCD09027081
• EINECS号:691-535-4
• 分子式:C13H18BNO4
• 分子量:263.1
• 产品CID: 2011194
• 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: LYFUUPOOXAXEEP-UHFFFAOYSA-N
• InChI=1S/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3…
• 计算化学: 氢键受体数4.0氢键供体数0可旋转键数2

物理性质

• 熔点90 °C
• 沸点378.9 °C at 760mmHg
• 闪点182.9 °C
• 密度1.13g/cm3
• PSA:61.6
• LogP:2.20242
• 折射率1.514
• 外观形态固体
• 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2
• 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-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

• 7745-93-9 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane; Overnight,Reflux
  标题:Preparation Of Heterocycles As Tyrosine Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  7745-93-9 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane; 3.5 H,Reflux
  标题:Preparation Of Isoquinoline Derivatives As Inhibitors Of P38 Mitogen-Activated Protein (P38Map)
  参考文献:World Intellectual Property Organization]
  
  99-55-8 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrogen Bromide Solvents: Water; 0 °C; 30 Min,0 °C1.2 Reagents: Sodium Acetate Solvents: Methanol; 1 H,25 °C
  标题:Synthesis Of Amino- And Hydroxymethyl Benzoxaboroles: Prominent Scaffolds For Further Functionalization
  作者:Fuscaldo,Rodrigo S.; Vontobel,Pedro H. V.; Boeira,Eduam O.; Moro,Angelica V.; Costa,Jessie S. Da
  参考文献:European Journal Of Organic Chemistry 日期:2019 卷标:2019(10) 页码:2050-2055]
  
  14874-70-5 + 73183-34-3 + 27165-07-7 = 957062-84-9
  反应条件:1.1 Catalysts: Copper Bromide (Cubr) Solvents: Acetonitrile,Water; 4 H,Rt
  标题:Sandmeyer-Type Reaction To Pinacol Arylboronates In Water Phase: A Green Borylation Process
  作者:Zhang,Jie; Wang,Xiaolong; Yu,Haitao; Ye,Jiahai
  参考文献:Synlett 日期:2012 卷标:23(9) 页码:1394-1396]
  
  7745-93-9 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane; Overnight,Reflux
  标题:Preparation Of Substituted Triazine Phenylurea Derivatives For Preventing And Treating Protein Kinase-Associated Diseases
  参考文献:World Intellectual Property Organization]
  
  7745-93-9 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dichloromethane,1,4-Dioxane; 6 H,100 °C
  标题:Preparation Of Pyrrolopyrimidine,Pyrrolopyridine And Indazole Derivatives For Treatment Of Cancer
  参考文献:Korea]
  
  7745-93-9 + 73183-34-3 = 957062-84-9
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: 1,4-Dioxane; Rt -> 100 °C; 16 H,100 °C
  标题:Preparation Of Coumarin-Like Cyclic Compound As Mek Inhibitor
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902300000-甲苯
  2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
• 💡 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。
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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