CAS: 918524-63-7; 1-Methyl-4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Pyridin-2-yl)Piperazine

• 英文名称1-Methyl-4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Pyridin-2-yl)Piperazine
• 中文名称6-(4-甲基-1-哌嗪基)吡啶-3-硼酸频哪醇酯
• IUPAC名称1-methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
• 其它别名1-甲基-4-[5-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)吡啶-2-基]哌嗪; 6-(4-Methylpiperazin-1-yl)Pyridine-3-Boronic Acid Pinacol Ester
• CAS编号918524-63-7
• MFCD编号:MFCD07437995
• EINECS号:674-539-0
• 分子式:C16H26BN3O2
• 分子量:303.21
• 产品CID: 1956740
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: KVQXFNGVIIPCSX-UHFFFAOYSA-N
• InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3…
• 计算化学: 氢键受体数5.0氢键供体数0.0可旋转键数2.0

相似化合物

物理性质

• 熔点125 °C
• 沸点435.2±45.0°C at 760 mmHg
• 闪点217.0±28.7°C
• 密度1.1±0.1 g/cm3
• pKa:8.41±0.31(预测)
• PSA:37.83
• LogP:1.1326
• 折射率1.543
• 蒸汽压0.0±1.0 mmHg at 25°C
• 外观形态白色固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用于合成四氢丙烯丙胺,作为塑性淋巴性血酶抑制剂.

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
  皮肤腐蚀 类别1B
  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.
  H314 |造成严重皮肤灼伤和眼损伤.
  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
• 危险等级6.1
• UN编号UN2811
• 危险品标志C
• 安全声明22-26-36/37/39-45
• 危险类别码22-34

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 1-Methyl-4-[5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaboralan-2-yl)Pyridine-2-Yl]Piperazine 主要起始原料 Bis(Pinacolato)Diboron And 5-Bromo-2-(4-Boc-Piperazin-1-yl)Pyridine
• 73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethylformamide; Overnight,Rt -> 80 °C
  标题:Preparation Of Heterocycles As Antitumor Agents
  参考文献:China]
  
  73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: 1,4-Dioxane; 12 H,90 °C
  标题:Preparation Of Pyridonaphthyridine Derivatives As Pi3K And Mtor Inhibitors
  参考文献:World Intellectual Property Organization]
  
  73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethylformamide,1,4-Dioxane; Overnight,95 °C
  标题:Sulfonyl-Substituted Benzoheterocyclic Derivative As Ezh2 Inhibitor And Its Preparation
  参考文献:World Intellectual Property Organization]
  
  73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: Dimethyl Sulfoxide; Overnight,80 °C
  标题:Ezh2 Inhibitors And Uses Thereof
  参考文献:World Intellectual Property Organization]
  
  61676-62-8 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C1.2 -78 °C; -78 °C -> Rt; 22 H,Rt
  标题:Preparation Of Thiazolidine Derivatives As Pim Inhibitors
  参考文献:World Intellectual Property Organization]
  
  73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: 1,4-Dioxane; 3 H,Rt -> 80 °C; Cooled
  标题:Preparation Of 1,4-Benzodiazepinone Compounds And Their Use In Treating Cancer
  参考文献:World Intellectual Property Organization]
  
  73183-34-3 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethylformamide; Overnight,80 °C
  标题:Process For Preparation Of 1,5,7-Tri-Substituted Isoquinoline Derivatives And Use In Medicines
  参考文献:World Intellectual Property Organization]
  
  61676-62-8 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C1.2 2 H,-78 °C; -78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Pyrrole Derivatives Useful For The Treatment Of Cytokine-Mediated Diseases And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  61676-62-8 + 364794-58-1 = 918524-63-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; Rt -> -78 °C; -78 °C; 30 Min,-78 °C1.2 2 H,-78 °C; -78 °C -> Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Preparation Of Bicyclic Aromatic Compounds As Inhibitors Of Mitogen-Activated Protein Kinase-Activated Protein Kinase-2
  参考文献:World Intellectual Property Organization]
  
  = 918524-63-7 [标题:Reaction Conditions
  标题:The Discovery Of Plk4 Inhibitors: (E)-3-((1H-Indazol-6-Yl)Methylene)Indolin-2-Ones As Novel Antiproliferative Agents
  作者:Laufer,Radoslaw; Forrest,Bryan; Li,Sze-Wan; Liu,Yong; Sampson,Peter; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(15) 页码:6069-6087]
  
  = 918524-63-7 [标题:Reaction Conditions
  标题:Synthesis And Structure-Activity Relationships Of 1,2,3,4-Tetrahydropyrido[2,3-B]Pyrazines As Potent And Selective Inhibitors Of The Anaplastic Lymphoma Kinase
  作者:Milkiewicz,Karen L.; Weinberg,Linda R.; Albom,Mark S.; Angeles,Thelma S.; Cheng,Mangeng; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2010 卷标:18(12) 页码:4351-4362

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

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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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