CAS: 826-36-8; 2,2,6,6-Tetramethylpiperidin-4-One

• 英文名称2,2,6,6-Tetramethylpiperidin-4-One
• 中文名称四甲基哌啶酮
• IUPAC名称2,2,6,6-tetramethylpiperidin-4-one
• 其它别名四甲基哌啶酮; 三丙酮胺; 2,2,6,6-Tetramethyl-4-Piperidone
• CAS编号826-36-8
• MFCD编号:MFCD00005975
• EINECS号:212-554-2
• FDA UNII编号:2K4430S3XP
• 分子式:C9H17NO
• 分子量:155.24
• 产品CID: 1816672
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→哌啶类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: JWUXJYZVKZKLTJ-UHFFFAOYSA-N
• InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点34-38°C
• 沸点102-105°C at 760 mmHg
• 闪点73.2±20.5 °C
• 密度0.9±0.1 g/cm3
• pKa:9.20±0.60(预测)
• PSA:29.1
• LogP:1.4961
• 折射率1.427
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性DMSO, Methanol
• 敏感性常温常压下稳定，避免氧化剂接触
• 外观形态浅橙色至浅棕色固体
• 储存条件2-8°C
• 产品应用该品是受阻胺光稳定剂的中间体和制药中间体.储存:本品易氧化吸潮,对光,氧极其敏感,需在清洁,寸燥,避光条件下储存.
• 性质描述该品为白色或淡黄色粉末,熔点43°C,沸点205°C,比重0.92g/cm3,闪点92°C,能溶于丙酮,醇,醚和水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05 & GHS07;
  注释: Corrosion & Exclamation mark
• 危险类别金属腐蚀物 类别1
  急性毒性 类别4(经口)
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  皮肤致敏 类别1A
  水生慢性毒性 类别3
  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
  皮肤致敏 类别1
• 警示词Danger(危险)
• 危险描述H290 |可能对金属造成腐蚀.
  H302 |吞咽有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H412 |对水生生物有害并具有长期持续影响.
  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P234-P260-P261-P264-P270-P272-P273-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P390-P405-P406-P501
• 危险等级8
• UN编号3263.0
• 危险品标志C,Xn
• 包装等级Ⅱ
• 安全声明45-36/37/39-26-22-36/37
• 危险类别码34-22-36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 504-20-1 = 826-36-8
  反应条件:1.1 Reagents: Ammonia,Water
  标题:Evaluation Of Spin Labeled Tartaric And Galactaric Diamides As Potential Mri Contrast Enhancing Agents
  作者:Sosnovsky,Georges; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:1989 卷标:24(3) 页码:241-7]
  
  2403-88-5 = 826-36-8
  反应条件:1.1 Reagents: 3-Buten-2-One Catalysts: Palladate(2-),Bis[μ-(Acetato-Ko:Ko′)]Tetrakis[(1,1-Dimethylethyl)Phenylphosphin... Solvents: Toluene,Water; 16 H,105 °C
  标题:Secondary Phosphine Oxides As Multitalented Preligands En Route To The Chemoselective Palladium-Catalyzed Oxidation Of Alcohols
  作者:Vasseur,Alexandre; Et Al
  参考文献:Chemcatchem 日期:2017 卷标:9(5) 页码:728-732]
  
  2403-88-5 = 826-36-8
  反应条件:1.1 Reagents: Oxygen Catalysts: Isobutyraldehyde,(Sp-4-2)-[2,18-Dimethyl 3,7,12,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato... Solvents: Acetonitrile; 60 Min,1 Atm,60 °C
  标题:Rapid Aerobic Oxidation Of Alcohols To Carbonyl Compounds With Dioxygen Using Metallodeuteroporphyrin Dimethyl Esters As Catalysts In The Presence Of Isobutylaldehyde
  作者:Sun,Chengguo; Et Al
  参考文献:Heteroatom Chemistry 日期:2012 卷标:23(3) 页码:295-303]
  
  36177-95-4 = 826-36-8
  反应条件:1.1 Reagents: Acetyl Chloride
  标题:Synthesis Of 3-Substituted Derivatives Of 2,2,6,6-Tetramethylpiperidine: Potential New Spin Labels
  作者:Rozantsev,E. G.; Et Al
  参考文献:Journal Of Chemical Research 日期:1979 卷标:(8) 页码:260-1]
  
  556-72-9 = 826-36-8
  反应条件:1.1 Reagents: Acetone Catalysts: Ammonium Tetrafluoroborate; 70 °C
  标题:Ammonium Tetrafluoroborate
  作者:Friestad,Gregory K.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  556-72-9 = 826-36-8
  反应条件:1.1 Catalysts: Acetone
  标题:A Process For Preparation Of 2,2,6,6-Tetramethyl-4-Oxopiperidine
  参考文献:Japan]
  
  = 826-36-8 + 556-72-9
  反应条件:1.1 Reagents: Ammonia Catalysts: Acetic Acid (Aluminum Magnesium Hydroxide Complex)
  标题:Method For Producing 2,2,6,6-Tetramethyl-4-Oxopiperidine And/or 2,2,4,4,6-Pentamethyl-2,3,4,5-Tetrahydropyrimidine
  参考文献:Japan]
  
  504-20-1 = 826-36-8
  反应条件:1.1 Reagents: Ammonia Solvents: Water; 48 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt1.3 Reagents: Potassium Hydroxide Solvents: Water; Basified,Rt
  标题:Synthesis Of Triacetonamine N-Alkyl Derivatives Reinvestigated
  作者:Banert,Klaus; Et Al
  参考文献:Arkivoc (Gainesville 日期:2012 卷标:(3) 页码:379-390]
  
  625-04-7 = 826-36-8
  反应条件:1.1 Reagents: Calcium Chloride; Rt -> 59 °C; 5 D,59 °C
  标题:Synthesis Of Novel Hindered Amine Light Stabilizers (Hals) And Their Copolymerization With Ethylene Or Propylene Over Both Soluble And Supported Metallocene Catalyst Systems
  作者:Wilen,Carl-Eric; Et Al
  参考文献:Macromolecules 日期:2000 卷标:33(14) 页码:5011-5026]
  
  = 826-36-8
  反应条件:1.1 Reagents: Ammonia,Calcium Chloride; 4 D,-47 °C; -47 °C -> 59 °C; 4 D,59 °C
  标题:Synthesis Of Novel Hindered Amine Light Stabilizers (Hals) And Their Copolymerization With Ethylene Or Propylene Over Both Soluble And Supported Metallocene Catalyst Systems
  作者:Wilen,Carl-Eric; Et Al
  参考文献:Macromolecules 日期:2000 卷标:33(14) 页码:5011-5026]
  
  556-72-9 = 826-36-8 + 22280-51-9 + 35814-33-6
  反应条件:1.1 Reagents: Ammonium Chloride
  标题:Oxoammonium Salts. 5. A New Synthesis Of Hindered Piperidines Leading To Unsymmetrical Tempo-Type Nitroxides. Synthesis And Enantioselective Oxidations With Chiral Nitroxides And Chiral Oxoammonium Salts
  作者:Ma,Zhenkun; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1993 卷标:58(18) 页码:4837-43]
  
  504-20-1 = 826-36-8
  反应条件:1.1 Reagents: Ammonia Solvents: Water; -80 °C -> 85 °C
  标题:The Synthesis Of Epr Differentiable Spin-Labels And Their Coupling To Uridine
  作者:Frolow,Olga; Et Al
  参考文献:Nucleosides 日期:2007 卷标:26(6-7) 页码:655-659]
  
  = 826-36-8
  反应条件:1.1 Reagents: Ammonia Catalysts: Iron Acetate1.2 Catalysts: Iron Acetate
  标题:Preparation Of 2,2,6,6-Tetramethyl-4-Oxopiperidine (Triacetonamine)
  参考文献:Japan]
  
  5554-54-1 = 826-36-8
  反应条件:1.1 Solvents: Acetone,Water1.2 Reagents: Sulfuric Acid,Potassium Sulfate1.3 Reagents: Sodium Hydroxide
  标题:Crowded Piperidines With Intramolecularly Hydrogen-Bonded Nitrogen: Synthesis And Conformation Study
  作者:Belostotskii,Anatoly M.; Et Al
  参考文献:Chemistry - A European Journal 日期:2002 卷标:8(13) 页码:3016-3026]
  
  208348-34-9 = 826-36-8
  反应条件:1.1 Reagents: Oxygen; 1 Atm,298 K
  标题:Solvent Free Mechanochemical Oxygenation Of Fullerene Under Oxygen Atmosphere
  作者:Watanabe,Hiroto; Et Al
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(46) 页码:8132-8137]
  
  38697-07-3 = 826-36-8
  反应条件:1.1 Catalysts: Ethylenediamine; 24 H,Rt
  标题:Two-Step Synthesis And Biological Evaluation Of Calyxamines A And B
  作者:Meza-Leon,Rosa-L.; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(50) 页码:6852-6854]
  
  556-72-9 = 826-36-8
  反应条件:1.1 Catalysts: Ammonium Tetrafluoroborate
  标题:Manufacture Of 2,2,6,6-Tetramethylpiperidin-4-One
  参考文献:Japan]
  
  556-72-9 = 826-36-8
  反应条件:1.1 Catalysts: Ferric Acetate
  标题:Preparation Of 2,2,6,6-Tetramethyl-4-Oxopiperidine
  参考文献:Japan]
  
  = 826-36-8
  反应条件:1.1 Reagents: Oxygen; 1 H,1 Atm,298 K2.1 Reagents: Oxygen; 1 Atm,298 K
  标题:Solvent Free Mechanochemical Oxygenation Of Fullerene Under Oxygen Atmosphere
  作者:Watanabe,Hiroto; Et Al
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(46) 页码:8132-8137]
  
  = 826-36-8 + 70-16-6
  反应条件:1.1 Reagents: Thiophenol,Hydrochloric Acid Solvents: Methanol,Water
  标题:Stable Free Radicals. Iii. Reactions Of Stable Nitroxide Radicals With S-Radicals Derived From Benzenethiols And Thiamine
  作者:Murayama,Keisuke; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1969 卷标:42(7) 页码:1942-7

海关参考信息

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  2912120000-乙醛
  2914110000-丙酮
  2914120000-丁酮
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