CAS: 936250-22-5; (2-Aminopyrimidin-5-yl)Boronic Acid

• 英文名称(2-Aminopyrimidin-5-yl)Boronic Acid
• 中文名称2-氨基嘧啶-5-硼酸
• IUPAC名称(2-aminopyrimidin-5-yl)boronic acid
• 其它别名(2-氨基嘧啶-5-基)硼酸; Boronic Acid, B-(2-Amino-5-Pyrimidinyl)-
• CAS编号936250-22-5
• MFCD编号:MFCD07375147
• EINECS号:624-650-5
• 分子式:C4H6BN3O2
• 分子量:138.92
• 产品CID: 1975978
• 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

• 相似结构搜索
• InChIKey: CGHYQZASLKERLV-UHFFFAOYSA-N
• InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)…
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数1.0

相似化合物

物理性质

• 熔点206-211°C
• 沸点487.0±55.0 °C at 760 mmHg
• 闪点248.3±31.5 °C
• 密度1.4±0.1 g/cm3
• pKa:2.58±0.11(预测)
• PSA:92.26
• LogP:-2.2614
• 折射率1.590
• 蒸汽压0.0±1.3 mmHg at 25°C
• 溶解性DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• 外观形态类白色固体
• 储存条件2-8°C
• 产品应用该化合物用作合成动脉抑制剂;这是一种火水性激素酸衍生物,在混合反应中非常有用.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  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)
  严重眼损伤 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H318 |造成严重眼损伤.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36/37/39
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 1844856-75-2 = 936250-22-5
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran,Hexane; -78 °C1.2 Reagents: Hydrochloric Acid Solvents: Isopropanol
  标题:Development Of An Efficient Synthesis Of (2-Aminopyrimidin-5-Yl) Boronic Acid
  作者:Patel,Nitinchandra D.; Zhang,Yongda; Gao,Joe; Sidhu,Kanwar; Lorenz,Jon C.; Et Al
  参考文献:Organic Process Research & Development 日期:2016 卷标:20(1) 页码:95-99]
  
  1360950-40-8 = 936250-22-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Dichloromethane; Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Cooled; Ph 7,Cooled
  标题:Method For Synthesizing 2-Aminopyrimidine-5-Boronic Acid
  参考文献:China]
  
  1072850-89-5 = 936250-22-5
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran,Water; < -90 °C; -90 °C -> -60 °C1.2 Solvents: Toluene,Water; -60 °C -> Rt; 30 Min,Rt1.3 Reagents: Hydrochloric Acid Solvents: Tert-Butyl Methyl Ether,Water; 4 H,Ph 1.3,Rt1.4 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Ph 7.5,Rt1.5 Solvents: Isopropanol,Water; Rt -> 50 °C; 1 H,50 °C
  标题:Process For The Preparation Of Boronic Acid Intermediates
  参考文献:United States]
  
  883231-25-2 = 936250-22-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; < 30 °C; 12 H,< 30 °C; < 30 °C -> 10 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 6.5,< 15 °C; 1 H,< 15 °C
  标题:Process For The Preparation Of (S)-1-[4-[[2-(2-Aminopyrimidin-5-Yl)-7-Methyl-4-Morpholinothieno[3,2-D]Pyrimidin-6-Yl]Methyl]Piperazin-1-Yl]-2-Hydroxypropan-1-One (Gdc-0980)
  参考文献:United States]
  
  7752-82-1 = 936250-22-5
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran,Hexane; 1 H,-78 °C; 3.5 H,-78 °C; -78 °C -> -20 °C1.2 Reagents: Water1.3 Reagents: Hydrogen Bromide Solvents: Water; Ph 6,Rt
  标题:New Pyrimidylboronic Acids And Functionalized Heteroarylpyrimidines By Suzuki Cross-Coupling Reactions
  作者:Clapham,Kate M.; Smith,Amy E.; Batsanov,Andrei S.; Mcintyre,Laura; Pountney,Adam; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2007 卷标:(34) 页码:5712-5716]
  
  209959-33-1 = 936250-22-5
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran; -80 - -70 °C; 15 Min,-80 - -70 °C1.2 Reagents: Water1.3 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 25 - 30 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; Ph 7,Rt
  标题:Method For Synthesis Of 2-Amino-5-Pyrimidineboronic Acid Pinacol Ester
  参考文献:China

专利信息

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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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• ➥ REACH监管