CAS: 84331-14-6; 1-(6-Fluoropyridin-3-yl)Ethanone

• 英文名称1-(6-Fluoropyridin-3-yl)Ethanone
• 中文名称2-氟-5-乙酰基吡啶
• IUPAC名称1-(6-fluoropyridin-3-yl)ethan-1-one
• 其它别名1-(6-氟-3-吡啶)乙酮; Ethanone, 1-(6-Fluoro-3-Pyridinyl)- (9Ci)
• CAS编号84331-14-6
• MFCD编号:MFCD07375076
• EINECS号:851-973-0
• 分子式:C7H6FNO
• 分子量:139.13
• 产品CID: 1831786
• 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: BQQPPKSWFCUWCN-UHFFFAOYSA-N
• InChI=1S/C7H6FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 沸点246.7±20.0°C (760 Torr)
• 闪点103.0±21.8°C
• 密度1.175±0.06 g/cm3 (20 °C 760 Torr)
• pKa:-2.23±0.10(预测)
• PSA:29.96
• LogP:1.4233
• 蒸汽压0.027 mmHg at 25 °C
• 外观形态白色至淡黄色固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物是衍生物合成中的一个关键中间体;氯酮碳酰类可发生核循环和氧化反应,而环上的卤素原子可以由其他原子或组替代,以产生多种基于的化合物.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 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
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H302 |吞咽有害.
  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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 403-45-2 = 84331-14-6
  反应条件:1.1 Reagents: 1-Hydroxybenzotriazole,Diisopropylethylamine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 10 Min,0 °C1.2 Reagents: N,O-Dimethylhydroxylamine Hydrochloride; 16 H,Rt1.3 Solvents: Diethyl Ether,Tetrahydrofuran; 20 Min,0 °C; 3 H,0 °C1.4 Reagents: Ammonium Chloride Solvents: Water; 0 °C
  标题:Modular Synthesis Of Alkenyl Sulfamates And β-Ketosulfonamides Via Sulfur(Vi) Fluoride Exchange (Sufex) Click Chemistry And Photomediated 1,3-Rearrangement
  作者:Sousa E Silva,Felipe Cesar; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(13) 页码:5271-5276]
  
  = 84331-14-6
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 4 H,60 °C
  标题:A Method For The Nucleophilic Fluorination Of 4-Dimethylaminopyridine (Dmap) Pyridinium Salts
  作者:Cressy,Derek; Et Al
  参考文献:Results In Chemistry 日期:2023 卷标:5]
  
  55676-22-7 + 1122-58-3 = 84331-14-6
  反应条件:1.1 Solvents: Tetrahydrofuran; Overnight,60 °C2.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 4 H,60 °C
  标题:A Method For The Nucleophilic Fluorination Of 4-Dimethylaminopyridine (Dmap) Pyridinium Salts
  作者:Cressy,Derek; Et Al
  参考文献:Results In Chemistry 日期:2023 卷标:5]
  
  1034467-37-2 = 84331-14-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 2 H,Rt1.2 Reagents: Sodium Bicarbonate,Sodium Thiosulfate Solvents: Water; 5 Min,Rt
  标题:Asymmetric Biocatalytic Synthesis Of Fluorinated Pyridines Through Transesterification Or Transamination: Computational Insights Into The Reactivity Of Transaminases
  作者:Lopez-Iglesias,Maria; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(2) 页码:279-291]
  
  55676-22-7 = 84331-14-6
  反应条件:1.1 Reagents: Cesium Fluoride Catalysts: Tetramethylammonium Chloride,18-Crown-6 Solvents: Acetonitrile; 16 H,Rt -> 60 °C
  标题:Nucleophilic Fluorination Of Heteroaryl Chlorides And Aryl Triflates Enabled By Cooperative Catalysis
  作者:Hong,Cynthia M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(5) 页码:3999-4006]
  
  766-11-0 = 84331-14-6
  反应条件:1.1 Reagents: Butyllithium Solvents: Diethyl Ether,Hexane; -78 °C; 30 Min,-78 °C1.2 Solvents: Diethyl Ether; -78 °C; 1.5 H,-78 °C1.3 Solvents: Water; -78 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 8,Rt2.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 2 H,Rt2.2 Reagents: Sodium Bicarbonate,Sodium Thiosulfate Solvents: Water; 5 Min,Rt
  标题:Asymmetric Biocatalytic Synthesis Of Fluorinated Pyridines Through Transesterification Or Transamination: Computational Insights Into The Reactivity Of Transaminases
  作者:Lopez-Iglesias,Maria; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(2) 页码:279-291

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2933310010-吡啶
  2914190090-其他无环酮
• 💡 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
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