CAS: 884495-14-1; 5-Bromo-2-Methoxy-4-Methyl-3-Nitropyridine

• 英文名称5-Bromo-2-Methoxy-4-Methyl-3-Nitropyridine
• 中文名称5-溴-2-甲氧基-4-甲基-3-硝基吡啶
• IUPAC名称5-bromo-2-methoxy-4-methyl-3-nitropyridine
• 其它别名2-甲氧基-3-硝基-4-甲基-5-溴吡啶; 5溴2甲氧基4甲基3硝基吡啶; 5-Bromo-2-Methoxy-4-Methyl-3-Nitropyridine
• CAS编号884495-14-1
• MFCD编号:MFCD06659504
• EINECS号:848-711-2
• 分子式:C7H7BrN2O3
• 分子量:247.05
• 产品CID: 1895100
• 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: BGDKJBCVNNWITN-UHFFFAOYSA-N
• InChI=1S/C7H7BrN2O3/c1-4-5(8)3-9-7(13-2)6(4)10(11)12/h3H,1-2H3…
• 计算化学: 氢键受体数4.0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88-90°C
• 沸点302.8±37.0 °C at 760 mmHg
• 闪点136.9±26.5 °C
• 密度1.6±0.1 g/cm3
• pKa:-2.34±0.28(预测)
• PSA:65.26
• LogP:2.06932
• 折射率1.578
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform, Dichloromethane, Ethyl Acetate
• 外观形态淡黄色固体
• 储存条件惰性气氛,室温
• 产品应用该化合物是化学合成中使用的有机中间体.

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
  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)
  严重眼刺激 类别2A
• 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.
  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
• 危险品标志Xi

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 5-Bromo-2-Methoxy-4-Methyl-3-Nitropyridine 主要起始原料 2-Amino-5-Bromo-4-Methyl-3-Nitropyridine
• 6635-86-5 = 884495-14-1
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
  作者:Fox,Richard J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]
  
  6635-86-5 = 884495-14-1
  反应条件:1.1 Reagents: 2,2-Dimethylpropanenitrile,Hydrochloric Acid Solvents: Methanol
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
  作者:Fox,Richard J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]
  
  142404-82-8 = 884495-14-1
  反应条件:1.1 Reagents: Sulfuric Acid; 10 - 20 °C; 20 °C -> 33 °C; 1 H,25 - 33 °C1.2 Reagents: Fuming Nitric Acid; 7 H,25 - 33 °C1.3 Reagents: Ammonium Hydroxide; Ph 4 - 5,< 20 °C; 1 H,15 - 25 °C2.1 Reagents: Sulfuric Acid Solvents: Methanol; 60 Min,< 20 °C; 20 °C -> 40 °C2.2 Reagents: 2,2-Dimethylpropanenitrile; 7 H,39 - 43 °C; 2.5 H,40 °C
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
  作者:Fox,Richard J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]
  
  695-34-1 = 884495-14-1
  反应条件:1.1 Solvents: Acetic Acid; 10 Min,Rt; 5 Min,Rt; Rt -> 95 °C; 5 H,95 °C; 95 °C -> 60 °C1.2 Reagents: Sodium Acetate Solvents: Water; 0.5 H,25 - 30 °C1.3 Reagents: Bromine; 8 H,25 - 30 °C1.4 Reagents: Sodium Bisulfate Solvents: Water; 5 Min,25 - 30 °C; 1 H,25 - 30 °C2.1 Reagents: Sulfuric Acid; 10 - 20 °C; 20 °C -> 33 °C; 1 H,25 - 33 °C2.2 Reagents: Fuming Nitric Acid; 7 H,25 - 33 °C2.3 Reagents: Ammonium Hydroxide; Ph 4 - 5,< 20 °C; 1 H,15 - 25 °C3.1 Reagents: Chlorotrimethylsilane Solvents: Methanol; < 25 °C; 0.5 H,< 25 °C3.2 Reagents: Sodium Nitrite; 10 H,15 - 25 °C; 18 H,15 - 25 °C
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
  作者:Fox,Richard J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]
  
  695-34-1 = 884495-14-1
  反应条件:1.1 Reagents: Acetic Acid1.2 Reagents: Bromine2.1 Reagents: Sulfuric Acid,Nitric Acid3.1 Reagents: Chlorotrimethylsilane,Sodium Nitrite Solvents: Methanol
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
  作者:Chen,Ke; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]
  
  100367-40-6 = 884495-14-1
  反应条件:1.1 Reagents: Chlorotrimethylsilane Solvents: Methanol; < 25 °C; 0.5 H,< 25 °C1.2 Reagents: Sodium Nitrite; 10 H,15 - 25 °C; 18 H,15 - 25 °C
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
  作者:Fox,Richard J.; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]
  
  100367-40-6 = 884495-14-1
  反应条件:1.1 Reagents: Chlorotrimethylsilane,Sodium Nitrite Solvents: Methanol
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
  作者:Chen,Ke; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]
  
  142404-82-8 = 884495-14-1
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid2.1 Reagents: Chlorotrimethylsilane,Sodium Nitrite Solvents: Methanol
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
  作者:Chen,Ke; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]
  
  23056-39-5 = 884495-14-1
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 0 °C; 0 °C -> Reflux; 23 H,Reflux2.1 Reagents: Bromine Solvents: Acetic Acid; 30 Min,Rt; 12 H,80 °C2.2 Reagents: Sodium Sulfate Solvents: Water; 0 °C
  标题:Diving Into The Water: Inducible Binding Conformations For Brd4,Taf1(2),Brd9,And Cecr2 Bromodomains
  作者:Crawford,Terry D.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(11) 页码:5391-5402]
  
  5327-32-2 = 884495-14-1
  反应条件:1.1 Reagents: Bromine2.1 Reagents: Sulfuric Acid,Nitric Acid3.1 Reagents: Chlorotrimethylsilane,Sodium Nitrite Solvents: Methanol
  标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
  作者:Chen,Ke; Et Al
  参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121

海关参考信息

• 2905110000-甲醇
  2933310010-吡啶
  2904209090-其他仅含硝基或亚硝基衍生物
  2909199090-其他醚及其衍生物
• 💡 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。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 防范代码详解
• ➥ 危险代码说明
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