CAS: 941685-26-3; 4-Chloro-7-((2-(Trimethylsilyl)Ethoxy)Methyl)-7H-Pyrrolo[2,3-D]Pyrimidine

• 英文名称4-Chloro-7-((2-(Trimethylsilyl)Ethoxy)Methyl)-7H-Pyrrolo[2,3-D]Pyrimidine
• 中文名称4-氯-7-((2-(三甲基硅基)乙氧基)甲基)-7H-吡咯并[2,3-d]嘧啶
• IUPAC名称4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
• 其它别名4-氯-7 - ((2-(三甲基硅基)乙氧基)甲基)-7H-吡咯并[2,3-D]嘧啶; 4-Chloro-7-((2-(Trimethylsilyl)Ethoxy)Methyl-7H-Pyrrolo[2,3-D]Pyrimidine
• CAS编号941685-26-3
• MFCD编号:MFCD11857752
• FDA UNII编号:D3M7U8G3QK
• 分子式:C12H18ClN3OSi
• 分子量:283.83
• 产品CID: 1989410
• 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: YWBDBLXIRAQZIH-UHFFFAOYSA-N
• InChI=1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16/h4-5,8H,6-7,9H2,1-3H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数5.0

相似化合物

物理性质

• 沸点368.3±37.0 °C at 760 mmHg
• 闪点176.6±26.5 °C
• 密度1.2±0.1 g/cm3
• pKa:3.00±0.30(预测)
• PSA:39.94
• LogP:3.397
• 折射率1.554
• 蒸汽压0.0±0.8 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于设计和制作对亚努斯氏菌(JAK)和丙酮脱乙酰酶(HDAC)具有双重抑制作用的正基丁基同源物衍生物.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 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
• 危险品标志Xn
• 危险类别码22

上下游产品

合成工艺路线路线简述

• 合成目标产物 4-Chloro-7-((2-(Trimethylsilyl)Ethoxy)Methyl)-7H-Pyrrolo[2,3-D]Pyrimidine 主要起始原料 2-(Trimethylsilyl)Ethoxymethyl Chloride And 4-Chloro-7H-Pyrrolo[2,3-D]Pyrimidine
• 3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; Cooled; 1 H,Cooled1.2 Cooled; 1 H,Cooled1.3 Solvents: Water
  标题:Pyrrolopyrimidine-Derived Compound And Pharmaceutical Composition And For Treating Tumor And Autoimmune Disease
  参考文献:China]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; < 10 °C; 1 H,< 10 °C1.2 < 10 °C; 10 °C -> Rt; Overnight,Rt1.3 Solvents: Water; Rt
  标题:Preparation Of Azetidine Derivatives For Treating Jak-Related Diseases
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylacetamide; -5 °C; 60 Min,0 °C1.2 0 °C; 1 H,0 °C1.3 Reagents: Water
  标题:Preparation Of Piperidin-4-Yl Azetidine Derivatives As Jak1 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,20 °C; 20 °C -> 0 °C1.2 12 H,20 °C
  标题:Preparation Of Bicyclic Compounds As Jak Inhibitors And Uses Thereof
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C; 1 H,0 °C1.2 0 °C; 1.5 H,0 °C -> Rt1.3 Reagents: Sodium Bicarbonate Solvents: Diethyl Ether,Water
  标题:Preparation Of Pyrrolopyrimidine Derivatives As Tam Inhibitors Useful For Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,Rt1.2 Cooled; 1 H,Cooled1.3 Reagents: Water
  标题:Pyrrolopyrimidine Crystal As Jak Inhibitor And Its Preparation
  参考文献:China]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C; 1 H,Rt1.2 0 °C; 1 H,0 °C1.3 Reagents: Water
  标题:Pyrrolopyrimidine-Pyrazole-Cyclopentane Compounds As Janus Kinase Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
  参考文献:China]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,Rt1.2 Cooled; 1 H,Cooled1.3 Solvents: Water
  标题:Pyrrolopyrimidine-Derived Compound And Pharmaceutical Composition And Application Thereof
  参考文献:China]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 15 Min,Rt1.2 30 Min,Rt
  标题:Preparation Of Tricyclic Compounds For The Treatment Of Immunological And Oncological Conditions
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; -20 - -10 °C; -20 - -10 °C; 2 H,-20 - -10 °C1.2 Reagents: Acetic Acid
  标题:Process For Synthesis Of Ruxolitinib
  参考文献:World Intellectual Property Organization]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C; 15 Min,Rt1.2 30 Min,Rt
  标题:Preparation Pyrrolopyrimidinamines As Janus Kinase 1 Selective Inhibitor
  参考文献:Korea]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylacetamide; -5 °C; 60 Min,0 °C1.2 0 °C; 1 H,0 °C1.3 Solvents: Tert-Butyl Methyl Ether,Water; 0 °C; 10 Min,0 °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]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,Rt1.2 Cooled; 1 H,Cooled1.3 Reagents: Water
  标题:Process For The Preparation Of (R)-3-Amino-β-Cyclopentyl-4-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)-1H-Pyrazole-1-Propanenitrile
  参考文献:China]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylacetamide; Cooled; 15 Min,Cooled1.2 Cooled1.3 Reagents: Water
  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]
  
  3680-69-1 + 76513-69-4 = 941685-26-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; Cooled; 1 H,Rt1.2 1 H,Cooled1.3 Reagents: Water
  标题:Preparation Of Pyrrolopyrimidines As Janus Kinase Inhibitors
  参考文献:China

海关参考信息

• 2909199090-其他醚及其衍生物
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