CAS: 86-21-5; N,N-Dimethyl-3-Phenyl-3-(Pyridin-2-yl)Propan-1-Amine

• 英文名称N,N-Dimethyl-3-Phenyl-3-(Pyridin-2-yl)Propan-1-Amine
• 中文名称非尼拉敏
• IUPAC名称N,N-dimethyl-3-phenyl-3-(pyridin-2-yl)propan-1-amine
• 其它别名1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane; 2-(3-Dimethylamino-1-phenylpropyl)pyridine; N,N-Dimethyl-3-phenyl-3-(2-pyridyl)propylamine
• CAS编号86-21-5
• MFCD编号:MFCD00865659
• EINECS号:201-656-2
• FDA UNII编号:134FM9ZZ6M
• 分子式:C16H20N2
• 分子量:240.35
• 产品CID: 1863148
• 产品分类原料药 → 抗变态反应药 → 抗组胺药

• 相似结构搜索
• InChIKey: IJHNSHDBIRRJRN-UHFFFAOYNA-N
• InChI=1/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数5.0

物理性质

• 熔点30-34  °C(文献)
• 沸点84  °C20 mm Hg(文献)
• 闪点179 °F
• 密度1.018 g/cm3
• pKa:pKa 4.03± 0.08;9.32± 0.06(H2O,t undefined,I=0.30(NaCl)) (Uncertain)
• PSA:16.13
• LogP:3.1652
• 折射率1.556
• 蒸汽压5.07E-05 mmHg at 25 °C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态无色油状物
• 储存条件-20°C
• 产品应用该化合物用于微量测定MOLYBEDNUM.

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2(经口)
• 警示词Danger(危险)
• 危险描述H300 |吞咽致命.
• 防范说明P210-P260-P280-P301+P310-P311
• UN编号UN1230 - class 3 - PG 2 - Methanol, solution
• 危险品标志F,T
• 安全声明16-36/37-45
• 危险类别码11-23/24/25-39/23/24/25
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 15260-65-8 = 86-21-5
  反应条件:1.1 Catalysts: Chloro[(1,2,5,6-η)-1,5-Cyclooctadiene][1,3-Dihydro-1,3-Bis(2,4,6-Trimethylphenyl... Solvents: Toluene; Rt1.2 Reagents: Hydrogen; 24 H,60 Bar,125 °C; 125 °C -> Rt
  标题:Hydroaminomethylation With Novel Rhodium-Carbene Complexes: An Efficient Catalytic Approach To Pharmaceuticals
  作者:Ahmed,Moballigh; Et Al
  参考文献:Chemistry - A European Journal 日期:2007 卷标:13(5) 页码:1594-1601]
  
  = 86-21-5
  反应条件:1.1 Reagents: Methylmagnesium Bromide Solvents: Diethyl Ether,Tetrahydrofuran; Rt; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol
  标题:Versatile C(Sp2)-C(Sp3) Ligand Couplings Of Sulfoxides For The Enantioselective Synthesis Of Diarylalkanes
  作者:Dean,William M.; Et Al
  参考文献:Angewandte Chemie 日期:2016 卷标:55(34) 页码:10013-10016]
  
  15260-65-8 + 2248408-49-1 = 86-21-5
  反应条件:1.1 Reagents: Hantzsch Ester Catalysts: 2489222-42-4 (Solid Solution With Triflate Analog) Solvents: Acetonitrile; 6 H,Rt
  标题:Metal-Organic Framework With Dual Active Sites In Engineered Mesopores For Bioinspired Synergistic Catalysis
  作者:Quan,Yangjian; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2020 卷标:142(19) 页码:8602-8607]
  
  35344-68-4 = 86-21-5 [标题:Reaction Conditions
  标题:Photoredox-Catalyzed Branch-Selective Pyridylation Of Alkenes For The Expedient Synthesis Of Triprolidine
  作者:Zhu,Shengqing; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-7]
  
  100-70-9 + 42817-44-7 = 86-21-5
  反应条件:1.1 Reagents: Sodium 4-Chlorobenzenesulfonate,Ammonium Chloride Catalysts: Tris[2-(2-Pyridinyl-Kn)Phenyl-Kc]Iridium Solvents: Ethanol,Acetonitrile; 2 H,25 °C1.2 Reagents: Potassium Methoxide; 1 H,25 °C1.3 Reagents: Water2.1 -
  标题:Photoredox-Catalyzed Branch-Selective Pyridylation Of Alkenes For The Expedient Synthesis Of Triprolidine
  作者:Zhu,Shengqing; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-7]
  
  1779-49-3 + 91-02-1 = 86-21-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 30 Min,0 °C1.2 0 °C; 0 °C -> Rt; Overnight,Rt1.3 Reagents: Water; Rt2.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[3,5-Diflu... Solvents: Dimethylformamide; 24 H,Rt2.2 Reagents: Dichloromethane; Rt
  标题:Anti-Markovnikov Hydro(Amino)Alkylation Of Vinylarenes Via Photoredox Catalysis
  作者:Wu,Zhao; Et Al
  参考文献:Nature Communications 日期:2021 卷标:12(1)]
  
  101288-62-4 = 86-21-5
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Tetrahydrofuran; 0 °C; Reflux
  标题:Photoinduced Three-Component Carboarylation Of Unactivated Alkenes With Protic C(Sp3)-H Feedstocks
  作者:Hong,Yang; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(41) 页码:7677-7684]
  
  50599-78-5 = 86-21-5
  反应条件:1.1 Catalysts: [(1,2,5,6-η)-1,5-Cyclooctadiene](η5-2,4-Cyclopentadien-1-Yl)Cobalt Solvents: Toluene
  标题:New Synthetic Route To Pheniramines Via Hydroformylation Of Functionalyzed Olefins
  作者:Botteghi,Carlo; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(23) 页码:7125-7]
  
  46498-51-5 = 86-21-5
  反应条件:1.1 Catalysts: Bis(Dichloro(η6-P-Cymene)Ruthenium),Bis[2-(Diphenylphosphino)Phenyl] Ether Solvents: Toluene; Rt; 10 Min,Rt; Rt -> Reflux; 24 H,Reflux
  标题:Ruthenium-Catalyzed N-Alkylation Of Amines And Sulfonamides Using Borrowing Hydrogen Methodology
  作者:Hamid,M. Haniti S. A.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(5) 页码:1766-1774]
  
  46498-51-5 = 86-21-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Benzene
  标题:Aminopropane Derivatives
  参考文献:Germany]
  
  15260-65-8 + 593-81-7 = 86-21-5
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[3,5-Diflu... Solvents: Dimethylformamide; 24 H,Rt1.2 Reagents: Dichloromethane; Rt
  标题:Anti-Markovnikov Hydro(Amino)Alkylation Of Vinylarenes Via Photoredox Catalysis
  作者:Wu,Zhao; Et Al
  参考文献:Nature Communications 日期:2021 卷标:12(1)]
  
  76132-65-5 = 86-21-5
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: 2056267-38-8; 48 H,140 °C
  标题:Direct Synthesis Of N,N-Dimethylated And β-Methyl N,N-Dimethylated Amines From Nitriles Using Methanol: Experimental And Computational Studies
  作者:Paul,Bhaskar; Et Al
  参考文献:Acs Catalysis 日期:2018 卷标:8(4) 页码:2890-2896]
  
  100866-24-8 = 86-21-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum
  标题:New Synthetic Route To Pheniramines Via Hydroformylation Of Functionalyzed Olefins
  作者:Botteghi,Carlo; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(23) 页码:7125-7]
  
  101-82-6 = 86-21-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 15 Min,-78 °C1.2 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C1.3 -78 °C; -78 °C -> Rt; 24 H,Rt1.4 Solvents: Water2.1 Catalysts: Bis(Dichloro(η6-P-Cymene)Ruthenium),Bis[2-(Diphenylphosphino)Phenyl] Ether Solvents: Toluene; Rt; 10 Min,Rt; Rt -> Reflux; 24 H,Reflux
  标题:Ruthenium-Catalyzed N-Alkylation Of Amines And Sulfonamides Using Borrowing Hydrogen Methodology
  作者:Hamid,M. Haniti S. A.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(5) 页码:1766-1774]
  
  158696-48-1 = 86-21-5
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride1.2 Reagents: Carbon Disulfide,Sodium Hydroxide Catalysts: Tetrabutylammonium Hydrogen Sulfate Solvents: Dichloromethane,Water2.1 Catalysts: [(1,2,5,6-η)-1,5-Cyclooctadiene](η5-2,4-Cyclopentadien-1-Yl)Cobalt Solvents: Toluene
  标题:New Synthetic Route To Pheniramines Via Hydroformylation Of Functionalyzed Olefins
  作者:Botteghi,Carlo; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(23) 页码:7125-7

海关参考信息

• 2902600000-乙苯
  2933310010-吡啶
  2921199090-其他无环单胺
  2939800000-其他生物碱
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• ➥ 防范代码详解
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