CAS: 825-55-8; 2-Phenylthiophene

• 英文名称2-Phenylthiophene
• 中文名称2-苯基噻吩
• IUPAC名称2-phenylthiophene
• 其它别名邻苯噻吩; Thiophene, 2-Phenyl-
• CAS编号825-55-8
• MFCD编号:MFCD00130080
• EINECS号:871-873-0
• 分子式:C10H8S
• 分子量:160.24
• 产品CID: 1816076
• 产品分类有机原料→分子砌块→芳杂环类化合物→噻吩类化合物

• 相似结构搜索
• 产品信息参考
• InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
• InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H…
• 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

物理性质

• 熔点34-36°C
• 沸点254.6°C at 760 mmHg
• 闪点77.9°C
• 密度1.1±0.1 g/cm3
• PSA:0.0
• LogP:3.4151
• 折射率1.598
• 蒸汽压0.0±0.5 mmHg at 25°C
• 敏感性常温常压下稳定，避免氧化剂 强碱接触
• 外观形态白色至浅米色结晶低熔融块状物
• 储存条件2-8°C
• 产品应用该化合物用作重要的化学中间体.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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H332 |吸入有害.
  H312 |皮肤接触有害.
  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
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明36/37
• 危险类别码20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-80-6 + 3437-95-4 = 825-55-8
  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; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2003 卷标:687(2) 页码:327-336]
  
  98-80-6 + 3437-95-4 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Solvents: Ethanol,Water; 24 H,80 °C
  标题:Pdnp@cyclodextrin On Cu/al Ldh-Containing Nanocomposites: Cage Effect,Crystallite Size Tuning And Composite Topology Towards Cross-Couplings
  作者:Neves,Vinicius A.; Et Al
  参考文献:Applied Clay Science 日期:2022 卷标:230]
  
  591-50-4 + 54663-78-4 = 825-55-8
  反应条件:1.1 Reagents: Lithium Chloride Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; 480 Min,85 °C
  标题:Dual Effect Of Halides In The Stille Reaction: In Situ Halide Metathesis And Catalyst Stabilization
  作者:Verbeeck,Stefan; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(43) 页码:12831-12837]
  
  1003-09-4 = 825-55-8
  反应条件:1.1 Catalysts: Triphenylphosphine,Palladium,[n,N′-Bis[3-(Triethoxysilyl)Propyl][2,2′-Bipyridine]-4,4′-Dimethanami... (Mcm-41-Anchored) Solvents: Tetrahydrofuran; 15 H,Reflux
  标题:Anchored Palladium Bipyridyl Complex In Nanosized Mcm-41: A Recyclable And Efficient Catalyst For The Kumada-Corriu Reaction
  作者:Tsai,Fu-Yu; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(20) 页码:4304-4309]
  
  1003-09-4 = 825-55-8
  反应条件:1.1 Catalysts: 2093415-82-6 Solvents: Tetrahydrofuran; 16 H,50 °C1.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Three Different Reactions,One Catalyst: A Cu(I) Pnp Pincer Complex As Catalyst For C-C And C-N Cross-Couplings
  作者:Mastalir,Matthias; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(8) 页码:2178-2181]
  
  6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Tetrahydrofuran,Water; 5 Min,24 °C1.2 Catalysts: Palladium Diacetate,Tri-Tert-Butylphosphine Solvents: Tetrahydrofuran; 5 Min,24 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Flash Generation Of A Highly Reactive Pd Catalyst For Suzuki-Miyaura Coupling By Using A Flow Microreactor
  作者:Nagaki,Aiichiro; Et Al
  参考文献:Chemistry - A European Journal 日期:2012 卷标:18(38) 页码:11871-11875]
  
  6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Cesium Carbonate,Tetrabutylammonium Bromide Catalysts: Cuprous Iodide Solvents: Dimethyl Sulfoxide; 21 H,135 - 140 °C
  标题:Tbab-Promoted Ligand-Free Copper-Catalyzed Cross-Coupling Reactions Of Aryl Halides With Arylboronic Acids
  作者:Li,Jin-Heng; Et Al
  参考文献:Synthesis 日期:2007 卷标:(7) 页码:984-988]
  
  3437-95-4 = 825-55-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: 9,9′-(1,2-Ethanediyldiimino)Bis[1H-Phenalen-1-One]; 12 H,130 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Accessing Heterobiaryls Through Transition-Metal-Free C-H Functionalization
  作者:Banik,Ananya; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2018 卷标:83(6) 页码:3236-3244]
  
  3437-95-4 = 825-55-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: 2,2′-(1E)-1,2-Diazenediylbis[2,4-Dimethylpentanenitrile] Solvents: Benzene; 3 H,110 °C
  标题:Amvn-Initiated Expedient Synthesis Of Biaryls By The Coupling Reaction Of Unactivated Arenes And Heteroarenes With Aryl Iodides
  作者:Bhakuni,Bhagat Singh; Et Al
  参考文献:New Journal Of Chemistry 日期:2014 卷标:38(2) 页码:827-836]
  
  3437-95-4 = 825-55-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Graphene (Oxide; Phenalenyl-Grafted); 12 H,130 °C
  标题:Graphene Oxide-Phenalenyl Composite: Transition Metal-Free Recyclable And Catalytic C-H Functionalization
  作者:Singh,Bhagat; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(94) 页码:13220-13223]
  
  591-50-4 + 6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Ruthenium (Sulfur Modified,Au Supported) Solvents: 1,2-Dimethoxyethane; 6 H,80 °C; 80 °C -> Rt1.2 Solvents: Water; 10 H,100 °C
  标题:Ligand-Free Suzuki-Miyaura Coupling Using Ruthenium(0) Nanoparticles And A Continuously Irradiating Microwave System
  作者:Akiyama,Toshiki; Et Al
  参考文献:Green Chemistry 日期:2017 卷标:19(14) 页码:3357-3369]
  
  98-80-6 + 10486-61-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Solvents: Ethanol,Water; 5 H,90 °C
  标题:Palladium Nanoparticles Immobilized On An Aminopropyl-Functionalized Silica-Magnetite Composite As A Recyclable Catalyst For Suzuki-Miyaura Reactions
  作者:Lati,Monireh Pourghasemi; Et Al
  参考文献:Chemistryselect 日期:2018 卷标:3(27) 页码:7970-7975]
  
  98-80-6 + 10486-61-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium,Agarose Solvents: Water; 1 H,80 °C
  标题:Agarose Hydrogel As An Effective Bioorganic Ligand And Support For The Stabilization Of Palladium Nanoparticles. Application As A Recyclable Catalyst For Suzuki-Miyaura Reaction In Aqueous Media
  作者:Firouzabadi,Habib; Et Al
  参考文献:Rsc Advances 日期:2011 卷标:1(6) 页码:1013-1019]
  
  = 825-55-8
  反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Tetrahydrofuran; 3 H,0 °C1.2 Reagents: Zinc Chloride; 2 H,Rt1.3 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; 24 H,55 °C
  标题:Synthesis Of 2,5-Disubstituted Thienosultines And Their Thermal Reactions With Dienophiles And Nucleophiles
  作者:Liu,Wen-Dar; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2002 卷标:67(26) 页码:9267-9275]
  
  = 825-55-8
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylacetamide
  标题:Palladium-Catalyzed Arylation Of Furan,Thiophene,Benzo[b]Furan And Benzo[b]Thiophene
  作者:Ohta,Akihiro; Et Al
  参考文献:Heterocycles 日期:1990 卷标:31(11) 页码:1951-8]
  
  98-80-6 + 1003-09-4 = 825-55-8
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Palladium Diacetate,9-(2′,6′-Dimethoxy[1,1′-Biphenyl]-2-Yl)-9-Phosphabicyclo[3.3.1]Nonane Solvents: Tetrahydrofuran; 24 H,25 °C
  标题:Evaluation Of P-Bridged Biaryl Phosphine Ligands In Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reactions
  作者:Lamola,Jairus L.; Et Al
  参考文献:Rsc Advances 日期:2021 卷标:11(43) 页码:26883-26891]
  
  98-80-6 + 1003-09-4 = 825-55-8
  反应条件:1.1 Reagents: Sodium Hydroxide,Tetrabutylammonium Bromide,Oxygen Catalysts: Palladium,1,4-Benzenedicarbonyl Dichloride,Polymer With 1,4-Benzenedicarboxamide Solvents: Water; 1 H,60 °C
  标题:Evaluation Of Nitrogen-Based Polymeric Heterogeneous Catalysts For The Suzuki-Miyaura Cross-Coupling Reaction In Water
  作者:So,Jae Il; Et Al
  参考文献:Acs Applied Polymer Materials 日期:2020 卷标:2(8) 页码:3122-3134]
  
  3437-95-4 + 24388-23-6 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Solvents: Methanol; 1 H,60 °C
  标题:Enhanced Heterogeneously Catalyzed Suzuki-Miyaura Reaction Over Siliacat Pd(0)
  作者:Pandarus,Valerica; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(35) 页码:4712-4716]
  
  591-50-4 + 54663-78-4 = 825-55-8
  反应条件:1.1 Reagents: Sodium Chloride Solvents: N-Methyl-2-Pyrrolidone1.2 Reagents: Manganese Dibromide1.3 Solvents: N-Methyl-2-Pyrrolidone1.4 Reagents: Potassium Fluoride Solvents: Water
  标题:Copper- And Manganese-Catalyzed Cross-Coupling Of Organostannanes With Organic Iodides In The Presence Of Sodium Chloride
  作者:Kang,Suk-Ku; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1997 卷标:62(13) 页码:4208-4209]
  
  591-50-4 + 54663-78-4 = 825-55-8
  反应条件:1.1 Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; 3 H,85 °C
  标题:General Facile Synthesis Of 2,5-Diarylheteropentalenes
  作者:Vachal,Petr; Et Al
  参考文献:Tetrahedron Letters 日期:2004 卷标:45(38) 页码:7157-7161]
  
  98-80-6 + 96-43-5 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-2)-[1,1′-Bis[bis(1,1-Dimethylethyl)Phosphino-Kp]Ferrocene]Dichloropalladiu... Solvents: Acetonitrile,Water; 2 H,120 °C
  标题:A Mild Robust Generic Protocol For The Suzuki Reaction Using An Air Stable Catalyst
  作者:Moseley,Jonathan D.; Et Al
  参考文献:Tetrahedron 日期:2012 卷标:68(30) 页码:6010-6017]
  
  98-80-6 + 96-43-5 = 825-55-8
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: (Sp-4-1)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden... Solvents: Ethanol; 20 Min,25 °C
  标题:Effect On Orthometallation Of Nhc Palladium Complexes Toward The Catalytic Activity Studies In Suzuki Coupling Reaction
  作者:Chen,Ming-Tsz; Et Al
  参考文献:Dalton Transactions 日期:2017 卷标:46(47) 页码:16394-16398]
  
  1003-09-4 = 825-55-8
  反应条件:1.1 Catalysts: Nickel(1+),Chloro[n,N′-[6-(Dimethylamino)-1,3,5-Triazine-2,4-Diyl-Kn3]Bis[p,P-B... Solvents: Tetrahydrofuran; Rt; 6 H,60 °C
  标题:A Triazine-Based Ni(Ii) Pnp Pincer Complex As Catalyst For Kumada-Corriu And Negishi Cross-Coupling Reactions
  作者:Mastalir,Mathias; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2017 卷标:148(1) 页码:105-109]
  
  1003-09-4 + 2996-92-1 = 825-55-8
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide,Di-μ-Chlorobis[5-Chloro-2-[(4-Chlorophenyl)(Hydroxyimino-Kn)Methyl]Phenyl-Kc]Dip... Solvents: Water; 10 Min,120 °C
  标题:Solvent-Less And Fluoride-Free Hiyama Reaction Of Arylsiloxanes With Aryl Bromides And Chlorides Promoted By Sodium Hydroxide: A Useful Protocol For Palladium Recycling And Product Isolation
  作者:Alacid,Emilio; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2006 卷标:348 页码:945-952]
  
  1003-09-4 + 2996-92-1 = 825-55-8
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: (Sp-4-2)-Chloro[2-(9-Phenyl-1,10-Phenanthrolin-2-Yl-Kn1,Kn10)Phenyl-Kc]Palladium Solvents: (+/-)-Propylene Glycol,Dichloromethane; 12 H,100 °C
  标题:The Hiyama Cross-Coupling Reaction At Parts Per Million Levels Of Pd: In Situ Formation Of Highly Active Spirosilicates In Glycol Solvents
  作者:Ichii,Shun; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(21) 页码:3850-3854]
  
  6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium(1+),[1-(Diphenylphosphino-Kp)-N-[(Diphenylphosphino-Kp)Methyl]Methana... (Argogel Bound) Solvents: Water
  标题:An Amphiphilic Resin-Supported Palladium Catalyst For High-Throughput Cross-Coupling In Water
  作者:Uozumi,Yasuhiro; Et Al
  参考文献:Organic Letters 日期:2002 卷标:4(17) 页码:2997-3000]
  
  591-50-4 = 825-55-8
  反应条件:1.1 Reagents: Silver Carbonate Catalysts: Tricyclohexylphosphine,Palladium Chloride Solvents: M-Xylene; 12 H,130 °C
  标题:A General Catalyst For The β-Selective C-H Bond Arylation Of Thiophenes With Iodoarenes
  作者:Ueda,Kirika; Et Al
  参考文献:Angewandte Chemie 日期:2010 卷标:49(47) 页码:8946-8949]
  
  591-50-4 = 825-55-8
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; -78 °C -> 0 °C; 1 H,0 °C; 0 °C -> -40 °C1.2 Reagents: Zinc Chloride Solvents: Tetrahydrofuran; 15 Min,-40 °C1.3 Catalysts: Tris(2-Furyl)Phosphine,Tris(Dibenzylideneacetone)Dipalladium Solvents: Tetrahydrofuran; 45 Min,100 °C1.4 Reagents: Ammonium Chloride Solvents: Water
  标题:Application Of The Negishi Reaction In The Synthesis Of Thiophene-Based Lignans Analogues With Leishmanicidal Effects
  作者:Amaral,Monica F. Z. J.; Et Al
  参考文献:Journal Of The Brazilian Chemical Society 日期:2014 卷标:25(10) 页码:1907-1913]
  
  591-50-4 = 825-55-8
  反应条件:1.1 Reagents: Butyllithium,Magnesium Bromide Solvents: Tetrahydrofuran; 1 H,-10 °C1.2 2 H,Rt1.3 Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium; 18 H,Reflux1.4 Reagents: Ammonium Chloride Solvents: Water
  标题:Deprotonation Of Thiophenes Using Lithium Magnesates
  作者:Bayh,Omar; Et Al
  参考文献:Tetrahedron 日期:2005 卷标:61(20) 页码:4779-4784]
  
  591-50-4 + 6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium(1+),[1-(Diphenylphosphino-Kp)-N-[(Diphenylphosphino-Kp)Methyl]Methana... (Argogel Bound) Solvents: Water
  标题:An Amphiphilic Resin-Supported Palladium Catalyst For High-Throughput Cross-Coupling In Water
  作者:Uozumi,Yasuhiro; Et Al
  参考文献:Organic Letters 日期:2002 卷标:4(17) 页码:2997-3000]
  
  591-50-4 + 6165-68-0 = 825-55-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium,Chitosan,N-(Aminothioxomethyl) Solvents: Water; 14 H,80 °C
  标题:Palladium Nanoparticles Embedded On Thiourea-Modified Chitosan: A Green And Sustainable Heterogeneous Catalyst For The Suzuki Reaction In Water
  作者:Affrose,Abdullah; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(35) 页码:27533-27539

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