CAS: 941685-27-4; 4-(4-Pyrazolyl)-7-[[2-(Trimethylsilyl)Ethoxy]Methyl]-7H-Pyrrolo[2,3-D]Pyrimidine

• 英文名称4-(4-Pyrazolyl)-7-[[2-(Trimethylsilyl)Ethoxy]Methyl]-7H-Pyrrolo[2,3-D]Pyrimidine
• 中文名称4-(1H-吡唑-4-基)-7-((2-(三甲基硅烷基)乙氧基)-甲基)-7H-吡咯并[2,3-d]嘧啶
• IUPAC名称4-(1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
• 其它别名4-(1H-吡唑-4-基)-7 - ((2-(三甲基硅基)乙氧基)甲基)-7H-吡咯并[2,3-D]嘧啶
• CAS编号941685-27-4
• MFCD编号:MFCD11857754
• EINECS号:801-232-2
• FDA UNII编号:3T5PU86BEN
• 分子式:C15H21N5OSi
• 分子量:315.45
• 产品CID: 1989412
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡咯类化合物

• 相似结构搜索
• InChIKey: AVMLPTWVYQXRSV-UHFFFAOYSA-N
• InChI=1S/C15H21N5OSi/c1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19)…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数6.0

相似化合物

物理性质

• 沸点501.8±50.0°C at 760 mmHg
• 闪点257.3±30.1°C
• 密度1.2±0.1 g/cm3
• pKa:10.87±0.50(预测)
• PSA:68.62
• LogP:3.1337
• 折射率1.607
• 蒸汽压0.0±1.2 mmHg at 25°C
• 外观形态白色至类白色固体
• 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作生产巴里西尼的中间体.

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(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IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明H302 (100%)H312 (50%)H332 (50%)
• 危险类别码22
• WGK Germany3

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-(1H-Pyrazol-4-yl)-7-((2-(Trimethylsilyl)Ethoxy)Methyl)-7H-Pyrrolo[2,3-D]Pyrimidine 主要起始原料 4-Pyrazoleboronic Acid Pinacol Ester And 4-Chloro-7-((2-(Trimethylsilyl)Ethoxy)Methyl)-7H-Pyrrolo[2,3-D]Pyrimidine
• 2762641-89-2 + 2075-45-8 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: (T-4)-Dichlorobis(Tricyclohexylphosphine)Nickel Solvents: Dimethyl Sulfoxide,Water; 1 - 2 H,Rt -> 70 °C
  标题:Preparation Method Of Lucotinib Phosphate
  参考文献:China]
  
  3680-69-1 + 76513-69-4 + 1029716-44-6 = 941685-27-4
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylacetamide; 30 Min,0 - 5 °C1.2 0 - 5 °C; 1 - 2 H,0 - 5 °C1.3 Reagents: Water1.4 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol; 2 H,85 - 90 °C1.5 Reagents: Hydrochloric Acid Solvents: Acetonitrile,Water; 2 H,Ph 0.5,35 - 40 °C
  标题:Process For Preparing Crystalline Forms Of Baricitinib
  参考文献:European Patent Organization]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 8 H,Rt1.2 Reagents: Sodium Carbonate; Ph 9 - 10
  标题:Design And Synthesis Of Ligand Efficient Dual Inhibitors Of Janus Kinase (Jak) And Histone Deacetylase (Hdac) Based On Ruxolitinib And Vorinostat
  作者:Yao,Lianbin; Mustafa,Nurulhuda; Tan,Eng Chong; Poulsen,Anders; Singh,Prachi; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(20) 页码:8336-8357]
  
  941685-26-3 + 1029716-44-6 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1-Butanol,Water; Rt; 1 - 4 H,90 °C; 90 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; Rt; 2 - 5 H,16 - 30 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 1 - 2 H,Rt
  标题:Preparation Of Azetidine And Cyclobutane Derivatives As Jak Inhibitors
  参考文献:World Intellectual Property Organization]
  
  941685-26-3 + 1029716-44-6 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1-Butanol,Water; Overnight,100 °C
  标题:Pyrrolo[2,3-D]Pyrimidine Derivatives As Jak1 Inhibitors And Their Preparation And Use For The Treatment Of Myelodysplastic Syndromes
  参考文献:World Intellectual Property Organization]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; Overnight,Rt
  标题:Pyrrolopyrimidine Five-Membered N-Heterocyclic Derivative And Its Application
  参考文献:China]
  
  269410-08-4 + 941685-26-3 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide,Water; 30 Min,Rt -> 125 °C; Cooled
  标题:Preparation Of Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors
  参考文献:United States]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetonitrile,Water; 2 H,Ph 0.5,35 - 45 °C
  标题:Identification,Synthesis,And Characterization Of Novel Baricitinib Impurities
  作者:Vaddamanu,Guruswamy; Goswami,Anandarup; Reddy,N. Ravi Sekhar; Kumar Reddy,Katam Reddy Vinod; Mulakayala,Naveen
  参考文献:Acs Omega 日期:2023 卷标:8(10) 页码:9583-9591]
  
  941685-26-3 + 1256346-38-9 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate; 20 Min,20 - 25 °C1.2 Catalysts: Tetrakis(Triphenylphosphine)Palladium; 20 - 30 °C; 3 H,120 - 125 °C
  标题:Improved Process For The Preparation Of (R)-3-(4-(7H-Pyrrolo[2,3D]Pyrimidin-4-Yl)-1H-Pyrazol-1-Yl)-3-Cyclopentylpropanenitrile Phosphate
  参考文献:India]
  
  2308502-24-9 = 941685-27-4
  反应条件:1.1 Reagents: Sodium Acetate,Hydrogen Solvents: Ethylene Glycol Diethyl Ether; 5 H,0.05 - 0.1 Mpa,50 - 55 °C
  标题:Simple Synthesis Method Of 7-Protective-Substituent-4-(1-Hydrogen-Pyrazol-4-Yl)Pyrrolo[2,3-D]Pyrimidine
  参考文献:China]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetonitrile,Water; 2 H,35 - 45 °C
  标题:Process For Preparing Low Hygroscopic Amorphous Form Of Baricitinib
  参考文献:European Patent Organization]
  
  941685-26-3 + 1029716-44-6 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1-Butanol,Water; 1 - 4 H,Rt -> 90 °C; 90 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 2 - 5 H,16 - 30 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 1 - 2 H,Rt
  标题:Processes And Intermediates For Making A Jak Inhibitor
  参考文献:United States]
  
  941685-26-3 + 1029716-44-6 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1-Butanol,Water; Rt; 3 - 4 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 2 - 5 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 1 - 2 H,Rt1.4 Solvents: Acetonitrile; 1 - 2 H,Reflux
  标题:Enantioselective Synthesis Of Janus Kinase Inhibitor Incb018424 Via An Organocatalytic Aza-Michael Reaction
  作者:Lin,Qiyan; Meloni,David; Pan,Yongchun; Xia,Michael; Rodgers,James; Et Al
  参考文献:Organic Letters 日期:2009 卷标:11(9) 页码:1999-2002]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 4 - 6 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; < 25 °C; 10 Min,< 25 °C; 1 - 2 H,Rt
  标题:Processes For Preparing Jaks Inhibitors And Related Intermediate Compounds
  参考文献:World Intellectual Property Organization]
  
  17026-42-5 + 941685-40-1 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Acetonitrile; 25 - 30 °C
  标题:An Improved Process For The Preparation Of Ruxolitinib Phosphate
  参考文献:India]
  
  1187595-88-5 = 941685-27-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 25 - 30 °C
  标题:An Improved Process For The Preparation Of Ruxolitinib Phosphate
  参考文献:World Intellectual Property Organization]
  
  1003846-21-6 + 941685-26-3 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tert-Butanol; 10 Min,Rt; Rt -> 105 °C; 4 H,100 - 105 °C1.2 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 12 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 3 H,Rt
  标题:Preparation Of Ruxolitinib And Its Intermediates
  参考文献:India]
  
  269410-08-4 + 941685-26-3 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide,Water; 30 Min,Rt -> 125 °C; Cooled
  标题:Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors And Their Preparation And Use In The Treatment Of Diseases
  参考文献:United States]
  
  269410-08-4 + 941685-26-3 = 941685-27-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane,Water; Overnight,80 °C
  标题:Preparation Method Of Pyrrole/imidazo Six-Membered Heteroaromatic Compound,And Medical Application Thereof For Preventing And Treating Janus Kinase (Jak) Activity-Related Diseases
  参考文献:China]
  
  76513-69-4 + 952518-97-7 = 941685-27-4
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 - 5 °C; 1 H,0 - 5 °C1.2 2 H,0 - 5 °C
  标题:Preparation Method Of (7R)-4-(1H-Pyrazol-4-Yl)-7H-Pyrrolo[2,3-D]Pyrimidine As Key Intermediate Of Baricitinib For Treating Rheumatoid Arthritis
  参考文献:China

海关参考信息

• 2909199090-其他醚及其衍生物
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• ➥ 防范代码详解
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