CAS: 937263-71-3; 4-([1,2,4]Triazolo[1,5-A]Pyridin-7-Yloxy)-3-Methylaniline

• 英文名称4-([1,2,4]Triazolo[1,5-A]Pyridin-7-Yloxy)-3-Methylaniline
• 中文名称4-([1,2,4]三唑并[1,5-a]吡啶-7-烷氧基)-3-甲基苯胺
• IUPAC名称4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylaniline
• 其它别名3-甲基-4-([1,2,4]三唑[1,5-A]吡啶-7-氧基)苯胺; Cb63303373
• CAS编号937263-71-3
• MFCD编号:MFCD28977540
• EINECS号:856-352-8
• FDA UNII编号:GBK8TE6BSZ
• 分子式:C13H12N4O
• 分子量:240.26
• 产品CID: 1977312
• 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: DFMSLMUVJUMZPA-UHFFFAOYSA-N
• InChI=1S/C13H12N4O/c1-9-6-10(14)2-3-12(9)18-11-4-5-17-13(7-11)15-8-16-17/h2-8H,14H2,1H3…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数2.0

相似化合物

物理性质

• 密度1.34±0.1 g/cm3(预测)
• pKa:3.74±0.10(预测)
• PSA:65.44
• LogP:2.41222
• 外观形态白色至类白色固体
• 储存条件2-8°C, 避光
• 产品应用该化合物用于治疗脑癌.

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-P330-P362+P364-P405-P501

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 4-([1,2,4]Triazolo[1,5-A]Pyridin-7-Yloxy)-3-Methylaniline 主要起始原料 [1,2,4]Triazolo[1,5-A]Pyridine, 7-(2-Methyl-4-Nitrophenoxy)-
• 2789626-16-8 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol; 4 H,Rt -> 40 °C
  标题:Preparation Of Tucatinib Key Intermediate
  参考文献:China]
  
  2364326-66-7 = 937263-71-3
  反应条件:1.1 Reagents: Morpholine Solvents: Toluene; 4 H,Reflux
  标题:Cost-Effective And Environmentally-Friendly Preparation Method Of Tucatinib Intermediate
  参考文献:China]
  
  2835-96-3 + 1033810-70-6 = 937263-71-3
  反应条件:1.1 Reagents: Triphenylphosphine,Diethyl Azodicarboxylate Solvents: Tetrahydrofuran; -5 - 5 °C; 2 H,-5 °C -> 50 °C
  标题:Preparation Of Her2 Small Molecule Inhibitor Tucatinib
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Zinc,Ammonium Chloride Solvents: Tetrahydrofuran,Water; 3 H,25 °C
  标题:Pyrimido[5,4-D]Pyrimidine Derivatives As Her2 Mutation Inhibitors
  参考文献:World Intellectual Property Organization]
  
  1427452-48-9 + 2835-96-3 = 937263-71-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 16 H,Rt -> 140 °C
  标题:Preparation Method Of Antitumor Drug Tucatinib Intermediate (4-([1,2,4]Triazolo[1,5-A]Pyridin-7-Yl-Oxy)-3-Methylaniline)
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 3 H,40 Psi,45 °C
  标题:Quinazoline Derivatives As Erbb Receptor Inhibitors And Their Preparation
  参考文献:United States]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Tetrahydrofuran; 16 H,15 Psi,40 °C
  标题:6-Heterocycloalkylquinazoline Derivatives As Anticancer Agents And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Ammonium Chloride Catalysts: Iron Solvents: Isopropanol,Water; 1 H,85 °C
  标题:Preparation Of Erbb Receptor Inhibitors As Antitumor Agents
  参考文献:World Intellectual Property Organization]
  
  1427452-48-9 + 2835-96-3 = 937263-71-3
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethylacetamide; Rt -> 150 °C; 16 H,150 °C
  标题:Preparation Of Diaryl Ether Compound
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 1.5 H,20 - 30 °C
  标题:Preparation Of Tukatinib For Her2 Small Molecule Inhibitor
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Water Solvents: Tetrahydrofuran; 15 H,40 °C
  标题:Preparation Of Irbinitinib And Its Intermediate
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Water Solvents: Tetrahydrofuran; 15 H,40 °C
  标题:New Synthetic Route To Tucatinib
  作者:Yin,Lingfeng; Mao,Yongjun; Liu,Yaowei; Bu,Lehao; Zhang,Long; Et Al
  参考文献:Synthesis 日期:2019 卷标:51(13) 页码:2660-2664]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Ethanol,Dimethylformamide,Water; Rt -> 100 °C; 20 Min,100 °C
  标题:Preparation Of Tucatinib And Its Intermediate Products
  参考文献:China]
  
  1427452-48-9 + 2835-96-3 = 937263-71-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 13 - 15 H,Rt -> 135 °C
  标题:Preparation Method Of Tucatinib Intermediate 4-([1,2,4]Triazolo[1,5-A]Pyridin-7-Yloxy)-3-Methylaniline
  参考文献:China]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Methanol,Tetrahydrofuran,Water; 6 H,Rt
  标题:Preparation Of N-(Cyanoquinoline) Amide Compounds Useful As Her2 Inhibitors For The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  1427452-48-9 + 2835-96-3 = 937263-71-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,Rt -> 130 °C; 16 H,130 - 140 °C
  标题:A Practical Alternate Synthesis Of Tucatinib
  作者:Lyu,Yaodong; Huang,Liliang; Zhu,Xiaolei; Lu,Sheng; Mao,Yongjun
  参考文献:Organic Preparations And Procedures International 日期:2021 卷标:53(6) 页码:554-561]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 3 H,Rt
  标题:Lactam (Hetero)Aryl Fused Pyrimidine Derivatives As Inhibitors Of Erbb2
  参考文献:World Intellectual Property Organization]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 3 H,Rt
  标题:Preparation Of Alkyne Quinazoline Derivatives As Inhibitors Of Erbb2
  参考文献:World Intellectual Property Organization]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Tetrahydrofuran; 24 H,3 Bar,18 - 25 °C
  标题:Synthesis Of Diazino-Pyrimidines As Anticancer Agents
  参考文献:World Intellectual Property Organization]
  
  937263-44-0 = 937263-71-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 16 H,4 Bar,18 - 25 °C
  标题:Synthesis Of Diazinopyrimidines As Her2 Inhibitors For Preventing Or Treating Oncological Diseases
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902300000-甲苯
  2933310010-吡啶
  2907121100-间甲酚
  2908199090-其他酚的卤化衍生物
• 💡 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
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