CAS: 939-23-1; 4-Phenylpyridine

• 英文名称4-Phenylpyridine
• 中文名称4-苯基吡啶
• IUPAC名称4-phenylpyridine
• 其它别名4-Azabiphenyl
• CAS编号939-23-1
• MFCD编号:MFCD00006420
• EINECS号:213-357-4
• 分子式:C11H9N
• 分子量:155.2
• 产品CID: 1982662
• 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: JVZRCNQLWOELDU-UHFFFAOYSA-N
• InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 熔点69-73°C
• 沸点274-275°C at 760 mmHg
• 闪点111.1±11.4 °C
• 密度1.0±0.1 g/cm3
• pKa:5.45±0.10(预测)
• PSA:12.89
• LogP:2.7486
• 折射率1.576
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform, Methanol
• 敏感性常温常压下稳定，避免氧化物 强酸接触
• 外观形态淡黄色至米色结晶粉末
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
  急性毒性 类别4(经口)
  水生慢性毒性 类别3
• 警示词Warning(警告)
• 危险描述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.
  H302 |吞咽有害.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501
• 危险等级IRRITANT, KEEP COLD
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 4-Phenylpyridine 主要起始原料 4-Chloropyridinium Chloride And Phenylboronic Acid
• 1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Tetrabutylammonium Bromide,Rhenium,[2-(Mercapto-Ks)Benzenemethanethiolato(2-)-Ks]Methyloxo(Triphenylphosph... Solvents: Benzene,Water
  标题:Rhenium,[2-(Mercapto-Ks)Benzenemethanethiolato(2-)-Ks]Methyloxo(Triphenylphosphine)
  作者:Meyers,David J.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2013 卷标:1]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: Rhenium,[2-(Mercapto-Ks)Benzenemethanethiolato(2-)-Ks]Methyloxo(Triphenylphosph... Solvents: Benzene
  标题:Efficient Catalytic Conversion Of Pyridine N-Oxides To Pyridine With An Oxorhenium(V) Catalyst
  作者:Wang,Ying; Espenson,James H.
  参考文献:Organic Letters 日期:2000 卷标:2(22) 页码:3525-3526]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Dimethylphenylsilane Catalysts: Hydroxylapatite (Ca5(Oh)(Po4)3),Gold Solvents: 1,4-Dioxane; 1 H,1 Atm,30 °C
  标题:Preparation Of Pyridine Compounds By Deoxygenation Of Pyridine N-Oxides Using Supported Gold Nanoparticle Catalysts And Silanes
  参考文献:Japan]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: Rhenium,Trioxo(3,8,13,16-Tetraphenyl-4,7-Imino-2,17-Metheno-9,12-Nitrilo[1,3]Di... Solvents: Dichloromethane; 1 H,23 °C
  标题:Catalytic Deoxygenation Of Pyridine N-Oxides With N-Fused Porphyrin Rhenium Complexes
  作者:Toganoh,Motoki; Fujino,Keitaro; Ikeda,Shinya; Furuta,Hiroyuki
  参考文献:Tetrahedron Letters 日期:2008 卷标:49(9) 页码:1488-1491]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: Rhenium,Trioxo(3,8,13,16-Tetraphenyl-4,7-Imino-2,17-Metheno-9,12-Nitrilo[1,3]Di... Solvents: Toluene; 1 H,26 °C
  标题:Re(Vii) Complex Of N-Fused Tetraphenylporphyrin
  作者:Toganoh,Motoki; Ikeda,Shinya; Furuta,Hiroyuki
  参考文献:Chemical Communications (Cambridge 日期:2005 卷标:(36) 页码:4589-4591]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Bis(Neopentyl Glycolato)Diboron Solvents: Benzene-D6; 3 H,70 °C
  标题:Diboron Reagents In The Deoxygenation Of Nitrones
  作者:Vargas,Emily L.; Franco,Mario; Alonso,Ines; Tortosa,Mariola; Belen Cid,M.
  参考文献:Organic & Biomolecular Chemistry 日期:2023 卷标:21(4) 页码:807-816]
  
  98-80-6 + 626-61-9 = 939-23-1
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Palladium (Wa30 Anion Exchange Resin) Solvents: Dimethylacetamide; 12 H,80 °C
  标题:Development Of A Unique Heterogeneous Palladium Catalyst For The Suzuki-Miyaura Reaction Using (Hetero)Aryl Chlorides And Chemoselective Hydrogenation
  作者:Ichikawa,Tomohiro; Netsu,Moeko; Mizuno,Masahiro; Mizusaki,Tomoteru; Takagi,Yukio; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(13) 页码:2269-2279]
  
  98-80-6 + 626-61-9 = 939-23-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Dichloro(Dicyclohexylphenylphosphine)[tris(1,1-Dimethylethyl)Phosphine]Palladium (Polypropylene-Bound) Solvents: Ethanol,Water; 15 H,75 °C
  标题:Tunable Palladium-Fibrecats For Aryl Chloride Suzuki Coupling With Minimal Metal Leaching
  作者:Colacot,Thomas J.; Carole,William A.; Neide,Bruce A.; Harad,Ajay
  参考文献:Organometallics 日期:2008 卷标:27(21) 页码:5605-5611]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: 1-Chloromethanesulfonyl Chloride; 24 H,90 °C
  标题:One-Step Conversion Of Pyridine N-Oxides To Tetrazolo[1,5-A]Pyridines
  作者:Keith,John M.
  参考文献:Journal Of Organic Chemistry 日期:2006 卷标:71(25) 页码:9540-9543]
  
  98-80-6 + 1120-87-2 = 939-23-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Di-μ-Chlorobis(η3-2-Propenyl)Dipalladium,Rel-1,1′,1′′,1′′′-[(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetrayltetrakis(Methylene)]... Solvents: Xylene; 20 H,130 °C
  标题:Efficient Coupling Of Heteroaryl Halides With Arylboronic Acids In The Presence Of A Palladium-Tetraphosphine Catalyst
  作者:Feuerstein,Marie; Doucet,Henri; Santelli,Maurice
  参考文献:Journal Of Organometallic Chemistry 日期:2003 卷标:687(2) 页码:327-336]
  
  98-80-6 + 626-61-9 = 939-23-1
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Di-μ-Chlorobis[5-Hydroxy-2-[1-(Hydroxyimino-Kn)Ethyl]Phenyl-Kc]Dipalladium Solvents: Water; 3.5 H,Reflux1.2 Solvents: Ethyl Acetate
  标题:Cross-Coupling Reactions With Boronic Acids In Water Catalysed By Oxime-Derived Palladacycles
  作者:Botella,Luis; Najera,Carmen
  参考文献:Journal Of Organometallic Chemistry 日期:2002 卷标:663(1-2) 页码:46-57]
  
  98-80-6 + 19524-06-2 = 939-23-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Di-μ-Chlorobis(η3-2-Propenyl)Dipalladium,Rel-1,1′,1′′,1′′′-[(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetrayltetrakis(Methylene)]... Solvents: Xylene
  标题:Efficient Coupling Of Heteroaryl Bromides With Arylboronic Acids In The Presence Of A Palladium-Tetraphosphine Catalyst
  作者:Feuerstein,M.; Doucet,H.; Santelli,M.
  参考文献:Tetrahedron Letters 日期:2001 卷标:42(33) 页码:5659-5662]
  
  98-80-6 + 15854-87-2 = 939-23-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Magnesium Oxide,2759016-37-8 Solvents: 1,2-Dimethoxyethane; 24 H,100 °C
  标题:Molecular Engineered Palladium Single Atom Catalysts With An M-C1N3 Subunit For Suzuki Coupling
  作者:Liu,Jia; Chen,Zhongxin; Liu,Cuibo; Zhang,Bao; Du,Yonghua; Et Al
  参考文献:Journal Of Materials Chemistry A: Materials For Energy And Sustainability 日期:2021 卷标:9(18) 页码:11427-11432]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: (Sp-5-15)-[4-Methyl-2,7,12,17-Tetraphenyl-4,21,22,23-Tetraazapentacyclo[16.2.1.1... Solvents: Toluene; 24 H,80 °C
  标题:Cooperation Between Metal And Ligand In Oxygen Atom Transport By N-Confused Porphyrin Oxorhenium(V) Complexes
  作者:Yamamoto,Takaaki; Toganoh,Motoki; Furuta,Hiroyuki
  参考文献:Dalton Transactions 日期:2012 卷标:41(30) 页码:9154-9157]
  
  1131-61-9 = 939-23-1
  反应条件:1.1 Reagents: Dimethylphenylsilane Catalysts: Gold (Hydroxyapatite-Supported Nanoparticle) Solvents: 1,4-Dioxane; 1 H,30 °C
  标题:Highly Efficient Gold Nanoparticle Catalyzed Deoxygenation Of Amides,Sulfoxides,And Pyridine N-Oxides
  作者:Mikami,Yusuke; Noujima,Akifumi; Mitsudome,Takato; Mizugaki,Tomoo; Jitsukawa,Koichiro; Et Al
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(6) 页码:1768-1772]
  
  98-80-6 + 1120-87-2 = 939-23-1
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Palladium (Metal-Organic Gel Supported) Solvents: Methanol; Rt -> 60 °C; 1 H,60 °C
  标题:Metal-Organic Gels As Functionalisable Supports For Catalysis
  作者:Zhang,Jianyong; Wang,Xiaobing; He,Lisi; Chen,Liuping; Su,Cheng-Yong; Et Al
  参考文献:New Journal Of Chemistry 日期:2009 卷标:33(5) 页码:1070-1075

海关参考信息

• 2902200000-苯
  2933310010-吡啶
  2939800000-其他生物碱
• 💡 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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