CAS: 879-72-1; 3-(Dimethylamino)-1-Phenylpropan-1-One Hydrochloride

• 英文名称3-(Dimethylamino)-1-Phenylpropan-1-One Hydrochloride
• 中文名称3-(二甲氨基)-1-苯基丙烷-1-酮盐酸盐
• IUPAC名称3-(dimethylamino)-1-phenylpropan-1-one hydrochloride
• 其它别名3-二甲基氨基苯丙酮盐酸; N,N-Dimethyl-3-Oxo-3-Phenylpropan-1-Aminium
• CAS编号879-72-1
• MFCD编号:MFCD00012481
• EINECS号:212-909-1
• 分子式:C11H16ClNO
• 分子量:213.71
• 产品CID: 1888866
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
• InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点150-155 °C
• 沸点267.5 °C at 760 mmHg
• 闪点91.6 °C
• PSA:20.31
• LogP:2.2428
• 蒸汽压0.00812 mmHg at 25 °C
• 溶解性Almost Transparency
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色至几乎白色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作有机合成.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P264-P270-P280-P302+P352-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志T
• 包装等级Ⅲ
• 安全声明26-36/37/39-45
• 危险类别码25-36/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 506-59-2 + 98-86-2 = 879-72-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 2 H,Reflux
  标题:Fluoxetine Scaffold To Design Tandem Molecular Antioxidants And Green Catalysts
  作者:Ribaudo,Giovanni; Et Al
  参考文献:Rsc Advances 日期:2020 卷标:10(32) 页码:18583-18593]
  
  506-59-2 + 98-86-2 = 879-72-1 [标题:Reaction Conditions
  标题:Studies On Syntheses And Biological Activities Of Novel Triazole Compounds Containing Phosphorodithioate Groups
  作者:Xu,Liang-Zhong; Et Al
  参考文献:Chemical Research In Chinese Universities 日期:2003 卷标:19(3) 页码:306-309]
  
  30354-18-8 + 98-86-2 = 879-72-1
  反应条件:1.1 Solvents: Acetonitrile; 10 - 30 Min,110 °C
  标题:Synthesis And Anti-Tubercular Activity Of Conformationally-Constrained And Bisquinoline Analogs Of Tmc207
  作者:Kalia,Dimpy; Et Al
  参考文献:Medchemcomm 日期:2015 卷标:6(8) 页码:1554-1563]
  
  30354-18-8 + 98-86-2 = 879-72-1
  反应条件:1.1 Solvents: Acetonitrile; 1 H,Reflux; Reflux -> Rt
  标题:Iridium Catalysts With Bicyclic Pyridine-Phosphinite Ligands: Asymmetric Hydrogenation Of Olefins And Furan Derivatives
  作者:Saiser,Stefan; Et Al
  参考文献:Angewandte Chemie 日期:2006 卷标:45(31) 页码:5194-5197]
  
  506-59-2 + 98-86-2 = 879-72-1
  反应条件:1.1 Solvents: Water; 50 S,Heated
  标题:Dramatically Accelerated Synthesis Of β-Aminoketones Via Aqueous Mannich Reaction Under Combined Microwave And Ultrasound Irradiation
  作者:Peng,Yanqing; Et Al
  参考文献:Synlett 日期:2005 卷标:(14) 页码:2245-2247]
  
  98-86-2 = 879-72-1 [标题:Reaction Conditions
  标题:A Straightforward And Efficient Method For The Synthesis Of Diversely Substituted β-Aminoketones And γ-Aminoalcohols From 3-(N,N-Dimethylamino)Propiophenones As Starting Materials
  作者:Abonia,Rodrigo; Et Al
  参考文献:Journal Of The Brazilian Chemical Society 日期:2013 卷标:24(9) 页码:1396-1402]
  
  51-80-9 = 879-72-1
  反应条件:1.1 Reagents: Acetyl Chloride Solvents: Diethyl Ether; Cooled; Overnight,Rt2.1 Solvents: Acetonitrile; 3 - 4 H,Reflux
  标题:Photophysical Properties And Oled Performance Of Light-Emitting Platinum(Ii) Complexes
  作者:Kourkoulos,Dimitrios; Et Al
  参考文献:Dalton Transactions 日期:2013 卷标:42(37) 页码:13612-13621]
  
  30354-18-8 + 98-86-2 = 879-72-1
  反应条件:1.1 Solvents: Acetonitrile
  标题:Borrowing Hydrogen In The Synthesis Of Biologically Relevant Molecules
  作者:Cami-Kobeci,Gerta
  参考文献:2004]
  
  98-86-2 = 879-72-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Isopropanol,Water; 8 - 12 H,100 °C
  标题:Asymmetric Hydrogenation Of β-Amino Ketones With The Bimetallic Complex Ruphox-Ru As The Chiral Catalyst
  作者:Wang,Jiahao; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(23) 页码:3855-3861]
  
  98-86-2 = 879-72-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol; 2 H,Reflux
  标题:Efficiency Of Single And Di- Site Phase Transfer Catalyzed Polymerization Of Glycidyl Methacrylate In The Two-Phase System: A Kinetic Study
  作者:Meena,M.; Et Al
  参考文献:Indian Journal Of Chemical Technology 日期:2021 卷标:28(4) 页码:445-452]
  
  98-86-2 = 879-72-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol; 2 H,Reflux
  标题:Synthesis,Single Crystal X-Ray Analysis,And Antifungal Profiling Of Certain New Oximino Ethers Bearing Imidazole Nuclei
  作者:Al-Wabli,Reem I.; Et Al
  参考文献:Molecules 日期:2017 卷标:22(11) 页码:1895/1-1895/12]
  
  100-19-6 = 879-72-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 5 H,Reflux; 5 H,Reflux
  标题:Selective Hydrogenation Of Aromatic Aminoketones By Pd/c Catalysis
  作者:Du,Rui; Et Al
  参考文献:Synthetic Communications 日期:2008 卷标:38(17) 页码:2889-2897]
  
  50599-78-5 = 879-72-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Benzyltriethylammonium Chloride
  标题:Phase-Transfer Catalyzed Oxidative Decyanation Of α-Secondary Nitriles; A Convenient Synthesis Of Aromatic Ketones
  作者:Donetti,Arturo; Et Al
  参考文献:Synthesis 日期:1980 卷标:(12) 页码:1009-11]
  
  98-86-2 = 879-72-1 [标题:Reaction Conditions
  标题:A Straightforward Synthesis Of 4,7-Disubstituted 1,4-Oxazepanes Via A Bronsted Acid Catalyzed Intramolecular Etherification Reaction
  作者:Castillo,Juan Carlos; Et Al
  参考文献:Current Organic Synthesis 日期:2018 卷标:15(3) 页码:370-379]
  
  = 879-72-1
  反应条件:1.1 Solvents: Water; Cooled2.1 Reagents: Acetyl Chloride Solvents: Diethyl Ether; Cooled; Overnight,Rt3.1 Solvents: Acetonitrile; 3 - 4 H,Reflux
  标题:Photophysical Properties And Oled Performance Of Light-Emitting Platinum(Ii) Complexes
  作者:Kourkoulos,Dimitrios; Et Al
  参考文献:Dalton Transactions 日期:2013 卷标:42(37) 页码:13612-13621

海关参考信息

• 2902600000-乙苯
  2912110000-甲醛
  2912120000-乙醛
  2912210000-苯甲醛
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