CAS: 850036-28-1; Cyclopent-1-En-1-Ylboronic Acid

• 英文名称Cyclopent-1-En-1-Ylboronic Acid
• 中文名称1-环戊烯硼酸
• IUPAC名称cyclopent-1-en-1-ylboronic acid
• 其它别名1-环戊烯基硼酸; 环戊烯1硼酸
• CAS编号850036-28-1
• MFCD编号:MFCD02179496
• EINECS号:691-688-7
• 分子式:C5H9BO2
• 分子量:111.93
• 产品CID: 1842130
• 产品分类有机原料→分子砌块→脂肪环类化合物→环戊烷类化合物

• 相似结构搜索
• InChIKey: UZBHNSVUMGIKLU-UHFFFAOYSA-N
• InChI=1S/C5H9BO2/c7-6(8)5-3-1-2-4-5/h3,7-8H,1-2,4H2…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

相似化合物

物理性质

• 熔点134-140°C
• 沸点246.7°C at 760 mmHg
• 闪点103.0±25.4 °C
• 密度1.1±0.1 g/cm3
• pKa:9.44±0.20(预测)
• PSA:40.46
• LogP:0.1087
• 折射率1.482
• 蒸汽压0.0±1.1 mmHg at 25°C
• 外观形态白色至淡黄色固体
• 储存条件惰性气氛,存放于冰箱中, -20°C
• 产品应用该化合物用作实验室研发以及化学和制药合成工艺.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 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)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 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
• 风险等级Harmful/Irritant/Keep Cold
• 安全声明26-36/37/39-39
• 危险类别码36/37/38-41-37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 17497-52-8 = 850036-28-1
  反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Diethyl Ether,Pentane; 5 Min,-78 °C; 30 Min,-78 °C1.2 Reagents: Triisopropyl Borate Solvents: Diethyl Ether; 5 Min,-78 °C; 1 H,-78 °C; 30 Min,-78 °C -> Rt; 30 Min,Rt1.3 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; Rt1.4 Reagents: Water; 2 H,Rt
  标题:Synthesis Of Nitrodienes,Nitrostyrenes,And Nitrobiaryls Through Palladium-Catalyzed Couplings Of β-Nitrovinyl And O-Nitroaryl Thioethers
  作者:Creech,Gardner S.; Et Al
  参考文献:Chemical Science 日期:2013 卷标:4(6) 页码:2670-2674]
  
  287944-10-9 = 850036-28-1
  反应条件:1.1 Reagents: Ammonium Acetate,Sodium Periodate Solvents: Acetone,Water; 2 D,Rt
  标题:Preparation Of α-Oxygenated Ketones By The Dioxygenation Of Alkenyl Boronic Acids
  作者:Patil,Aditi S.; Et Al
  参考文献:Angewandte Chemie 日期:2012 卷标:51(31) 页码:7799-7803]
  
  287944-10-9 = 850036-28-1
  反应条件:1.1 Reagents: Ammonium Acetate,Sodium Periodate Solvents: Acetone,Water; 24 - 48 H,Rt
  标题:Synthesis Of 1-Vinyl/arylbenzotriazole 3-Oxides Through A Copper-Mediated C-N Bond Coupling Reaction
  作者:Shi,Wei-Min; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(16) 页码:2741-2746]
  
  17529-98-5 = 850036-28-1
  反应条件:1.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane; -78 °C; 1 H,-78 °C; 2 H,-78 °C -> Rt; Rt -> -78 °C1.2 Reagents: Trimethyl Borate; 2 H,-78 °C -> Rt1.3 Reagents: Water1.4 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 2 H,Rt
  标题:Pd-Catalyzed Heck-Type Reaction: Synthesizing Highly Diastereoselective And Multiple Aryl-Substituted P-Ligands
  作者:Li,Chong; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(17) 页码:7138-7142]
  
  120-92-3 + 1576-35-8 = 850036-28-1
  反应条件:1.1 Solvents: Methanol; Rt; 6 H,60 °C2.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane; -78 °C; 1 H,-78 °C; 2 H,-78 °C -> Rt; Rt -> -78 °C2.2 Reagents: Trimethyl Borate; 2 H,-78 °C -> Rt2.3 Reagents: Water2.4 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 2 H,Rt
  标题:Pd-Catalyzed Heck-Type Reaction: Synthesizing Highly Diastereoselective And Multiple Aryl-Substituted P-Ligands
  作者:Li,Chong; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(17) 页码:7138-7142]
  
  120-92-3 + 1576-35-8 = 850036-28-1
  反应条件:1.1 Solvents: Methanol; 2 H,70 °C2.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane; 1 H,-78 °C; -78 °C -> 25 °C; 2 H,25 °C; 25 °C -> -78 °C2.2 -78 °C2.3 Solvents: Water3.1 Reagents: Ammonium Acetate,Sodium Periodate Solvents: Acetone,Water; 24 - 48 H,Rt
  标题:Synthesis Of 1-Vinyl/arylbenzotriazole 3-Oxides Through A Copper-Mediated C-N Bond Coupling Reaction
  作者:Shi,Wei-Min; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(16) 页码:2741-2746]
  
  61676-62-8 + 17529-98-5 = 850036-28-1
  反应条件:1.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane; 1 H,-78 °C; -78 °C -> 25 °C; 2 H,25 °C; 25 °C -> -78 °C1.2 -78 °C1.3 Solvents: Water2.1 Reagents: Ammonium Acetate,Sodium Periodate Solvents: Acetone,Water; 24 - 48 H,Rt
  标题:Synthesis Of 1-Vinyl/arylbenzotriazole 3-Oxides Through A Copper-Mediated C-N Bond Coupling Reaction
  作者:Shi,Wei-Min; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(16) 页码:2741-2746

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
• 💡 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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