CAS: 886-66-8; 1,4-Diphenylbutadiyne

• 英文名称1,4-Diphenylbutadiyne
• 中文名称1,4-二苯基丁二炔
• IUPAC名称1,4-diphenylbuta-1,3-diyne
• 其它别名Butadiyne,diphenyl- (6CI,7CI,8CI); 1,4-Diphenyl-1,3-butadiyne; 1,4-Diphenylbutadiyne; 1,4-Diphenyldiacetylene; Diphenyl-1,3-butadiyne; Diphenylbutadiyne; Diphenyldiacetylene
• CAS编号886-66-8
• MFCD编号:MFCD00004787
• EINECS号:212-953-1
• FDA UNII编号:84WV7G15RN
• 分子式:C16H10分子量:202.26
• 产品CID: 1904272
• 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: HMQFJYLWNWIYKQ-UHFFFAOYSA-N
• InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H
• 计算化学: 氢键受体数*氢键供体数*可旋转键数*

物理性质

• 熔点86-87 °C
• 沸点210 °C at 3 mmHg
• 闪点150.5±14.5 °C
• 密度1.1±0.1 g/cm3
• LogP:3.0898
• 折射率1.642
• 蒸汽压0.0±0.3 mmHg at 25°C
• 溶解性Sparingly Soluble In Water(5.5E-4 G/l) (25°c). Soluble In Toluene Almost Transparency.
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色至淡黄色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作制备7,8-脱氢普里宁角.

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
• 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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi
• 安全声明26-37/39
• 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 1,4-Diphenylbutadiyne 主要起始原料 Phenylacetylene And 4-Ethynylanisole
• 1199-95-7 + 932-87-6 = 886-66-8
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: 18-Crown-6,Tris(Dibenzylideneacetone)Dipalladium Solvents: Toluene
  标题:Synthesis Of Unsymmetric Diynes By Palladium And Cesium Fluoride Catalyzed Coupling Of Terminal Bromoalkynes With Alkynylstannane
  作者:Abele,Edgars; Rubina,Kira; Fleisher,Mendel; Popelis,Juris; Arsenyan,Pavel; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2002 卷标:16(3) 页码:141-147]
  
  = 886-66-8
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Gold,[docosahydrododecakis[tris(4-Fluorophenyl)Phosphine-Kp]Tetracosacopper]-,... (Doped With Activated Carbon) Solvents: Isopropanol; 10 H,30 °C
  标题:Highly Efficient Conversion Of Homocoupling And Heterocoupling Of Terminal Alkynes Catalyzed By Aucu24/ac-200
  作者:Sun,Ningning; Yun,Yapei; Li,Kaikai; Ni,Xin; Qin,Yao; Et Al
  参考文献:European Journal Of Inorganic Chemistry 日期:2023 卷标:26(23)]
  
  = 886-66-8
  反应条件:1.1 Catalysts: Propionyl Chloride (Copper Complex Functionalized Through Amine Giving (Si-Cu)),2892565-17-0 (Functionalized Silica Get With Propionyl Chloride) Solvents: Water; 6 H,70 °C
  标题:Green Carbon-Carbon Homocoupling Of Terminal Alkynes By A Silica Supported Cu(Ii)-Hydrazone Coordination Compound
  作者:Heydari,Neda; Bikas,Rahman; Siczek,Milosz; Lis,Tadeusz
  参考文献:Dalton Transactions 日期:2023 卷标:52(2) 页码:421-433]
  
  = 886-66-8
  反应条件:1.1 Reagents: Oxygen Catalysts: Copper Oxide (Cuox) (Nitrogen Doped) Solvents: Acetonitrile; 3 H,80 °C
  标题:Revealing Efficient Catalytic Performance Of N-Cuox For Aerobic Oxidative Coupling Of Aliphatic Alkynes: A Langmuir-Hinshelwood Reaction Mechanism
  作者:Tang,Jun; Jiao,Bowen; Chen,Wei; Ruan,Fei; Li,Fengfeng; Et Al
  参考文献:Nano Research 日期:2022 卷标:15(7) 页码:6076-6083]
  
  = 886-66-8
  反应条件:1.1 Reagents: Sodium Acetate Catalysts: Salicylaldehyde,(3-Aminopropyl)Triethoxysilane,Copper Solvents: Acetonitrile; 3 H,Rt
  标题:A Highly Efficient And Recyclable Silica Supported Organic-Inorganic Hybrid Copper Catalyst: Preparation,Characterization And Catalytic Application In Oxidative Homocoupling Of Terminal Alkynes
  作者:Sharma,R. K.; Mishra,Mallika; Sharma,Shivani
  参考文献:International Journal Of Chemistry (Mumbai 日期:2015 卷标:4(1) 页码:49-64]
  
  = 886-66-8
  反应条件:1.1 Reagents: Sodium Carbonate,Oxygen Catalysts: (3-Aminopropyl)Triethoxysilane,Iron Oxide (Fe3O4) (Silica-Coated,Aminosilane Modified,Copper Comples),Silica,Cuprous Iodide (Complexes With Silica-Coated,Aminosilane Modified Iron Oxide) Solvents: Dimethylformamide; 4 H,Rt -> 80 °C
  标题:Immobilized Cu Complex On Modified Fe3O4 Nanoparticles As A Magnetically Separable Catalyst For The Oxidative Homocoupling Of Terminal Alkynes
  作者:Farzaneh,Faezeh; Shafie,Zahra; Rashtizadeh,Elnaz; Ghandi,Mehdi
  参考文献:Reaction Kinetics 日期:2013 卷标:110(1) 页码:119-129]
  
  = 886-66-8
  反应条件:1.1 Solvents: Dimethylformamide; > 1 Min,100 °C
  标题:η5-Cyclopentadienyl-η3-1-Phenylallylpalladium,An Unusually Effective Catalyst Precursor For Copper-Free And Copper-Assisted Sonogashira Cross-Coupling Reactions Catalyzed By Bis-Phosphine Palladium(0) Compounds: The Role Of Bis-Acetylide Intermediates In The Reduction Of A Palladium(Ii) Catalyst Precursor To A Palladium(0) Catalyst
  作者:Jaksic,Bryan E.; Jiang,Jingsi; Fraser,Andrew W.; Baird,Michael C.
  参考文献:Organometallics 日期:2013 卷标:32(15) 页码:4192-4198]
  
  = 886-66-8
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Oxygen Catalysts: Stereoisomer Of [μ-[2,7-Bis(3,5-Diphenyl-1H-Pyrazol-1-Yl-Kn2)-1,8-Naphthyridine-... Solvents: Toluene; 8 H,1 Atm,35 °C
  标题:Dinickel(Ii) Complexes: Preparation And Catalytic Activity
  作者:Cheng,Ting-Peng; Liao,Bei-Sih; Liu,Yi-Hung; Peng,Shie-Ming; Liu,Shiuh-Tzung
  参考文献:Dalton Transactions 日期:2012 卷标:41(12) 页码:3468-3473]
  
  615-43-0 = 886-66-8 + 948-65-2
  反应条件:1.1 Reagents: Sodium Acetate,Cuprous Iodide Catalysts: Iron Oxide (Fe3O4),Palladium Solvents: Dimethylacetamide; 6 H,166 °C
  标题:Efficient Synthesis Of Indole Derivatives Via Tandem Cyclization Catalyzed By Magnetically Recoverable Palladium/magnetite (Pd-Fe3O4) Nanocrystals
  作者:Kwon,Jungmin; Chung,Jooyoung; Byun,Sangmoon; Kim,B. Moon
  参考文献:Asian Journal Of Organic Chemistry 日期:2016 卷标:5(4) 页码:470-476]
  
  959-88-6 = 886-66-8
  反应条件:1.1 Reagents: Chloroacetic Acid Solvents: Benzene; Overnight,80 °C
  标题:Reverse Engineering Of Conjugated Microporous Polymers: Defect Structures Of Tetrakis(4-Ethynylphenyl)Stannane Networks
  作者:Uptmoor,Andrea C.; Freudenberg,Jan; Schwaebel,S. Thimon; Paulus,Fabian; Rominger,Frank; Et Al
  参考文献:Angewandte Chemie 日期:2015 卷标:54(49) 页码:14673-14676]
  
  = 886-66-8
  反应条件:1.1 Reagents: Piperidine,Oxygen Catalysts: 1626344-93-1 Solvents: Methanol; 4 H,25 °C
  标题:{cu2+-Co3+-Cu2+} And {cu2+-Fe3+-Cu2+} Heterobimetallic Complexes And Their Catalytic Properties
  作者:Srivastava,Sumit; Ali,Afsar; Tyagi,Adish; Gupta,Rajeev
  参考文献:European Journal Of Inorganic Chemistry 日期:2014 卷标:2014(12) 页码:2113-2123]
  
  21890-32-4 = 886-66-8
  反应条件:1.1 Reagents: 2-Iodobenzoic Acid,Diethylamine Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Triethylamine; 1 H,100 °C; 100 °C -> Rt1.2 Reagents: Ethanol; Rt
  标题:Tetraalkynylstannanes In The Stille Cross Coupling Reaction: A New Effective Approach To Arylalkynes
  作者:Levashov,Andrey S.; Buryi,Dmitrii S.; Goncharova,Olga V.; Konshin,Valeriy V.; Dotsenko,Victor V.; Et Al
  参考文献:New Journal Of Chemistry 日期:2017 卷标:41(8) 页码:2910-2918]
  
  = 886-66-8
  反应条件:1.1 Reagents: Tripotassium Phosphate,Selectfluor Catalysts: [1,1,1-Trifluoro-N-[(Trifluoromethyl)Sulfonyl]Methanesulfonamidato-Kn](Triphenyl... Solvents: Acetonitrile,Water; 4 H,Rt
  标题:Gold-Catalyzed Cascade Cyclization-Oxidative Alkynylation Of Allenoates
  作者:Hopkinson,Matthew N.; Ross,Jonathan E.; Giuffredi,Guy T.; Gee,Antony D.; Gouverneur,Veronique
  参考文献:Organic Letters 日期:2010 卷标:12(21) 页码:4904-4907]
  
  = 886-66-8
  反应条件:1.1 Reagents: Methanol,Triethylamine,Carbon Monoxide Catalysts: Cupric Chloride,Palladium Chloride Solvents: Carbon Dioxide; 2 D,7.5 Mpa,40 °C; 40 °C -> -30 °C
  标题:Palladium-Catalyzed Carbonylation Of Acetylenes In Supercritical Carbon Dioxide
  作者:Xie,Ye-Xiang; Li,Jin-Heng; Yin,Du-Lin; Jiang,Huan-Feng
  参考文献:Youji Huaxue 日期:2004 卷标:24(2) 页码:169-172]
  
  = 886-66-8
  反应条件:1.1 Reagents: Triethylamine,Cuprous Iodide Catalysts: Palladium,[1,3-Dihydro-1,3-Bis[(1R)-1-Phenylethyl]-2H-Imidazol-2-Ylidene]Diiodo...
  标题:Synthesis,Structure And Catalytic Application Of Palladium(Ii) Complexes Bearing N-Heterocyclic Carbenes And Phosphines
  作者:Herrmann,W. A.; Bohm,V. P. W.; Gstottmayr,C. W. K.; Grosche,M.; Reisinger,C.-P.; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2001 卷标:617 页码:617-618]
  
  = 886-66-8
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: 2920105-41-3 Solvents: Tetrahydrofuran; 2 H,Rt
  标题:The Role Of A Redox-Active Non-Innocent Ligand In Additive-Free C-C Glaser-Hay And Suzuki Coupling Reactions By An O-Aminophenol Palladium(Ii) Complex
  作者:Pakpour,Fatemeh; Safaei,Elham; Azami,S. Mohammad; Wojtczak,Andrzej; Kaldunska,Karolina
  参考文献:Rsc Advances 日期:2023 卷标:13(5) 页码:3278-3289]
  
  = 886-66-8
  反应条件:1.1 Reagents: Potassium Hydroxide,Oxygen Catalysts: 2412685-45-9 Solvents: Tetrahydrofuran; 2.5 H,Rt
  标题:Tuning Of The Redox Potential And Catalytic Activity Of A New Cu(Ii) Complex By O-Iminobenzosemiquinone As An Electron-Reservoir Ligand
  作者:Nasibipour,Mina; Safaei,Elham; Wrzeszcz,Grzegorz; Wojtczak,Andrzej
  参考文献:New Journal Of Chemistry 日期:2020 卷标:44(11) 页码:4426-4439]
  
  = 886-66-8
  反应条件:1.1 Catalysts: Carbon Nitride (C3N4) Solvents: Dimethylformamide; 12 H,100 °C
  标题:Synergistic Effect Of Bimetallic Pdau Nanocrystals On Oxidative Alkyne Homocoupling
  作者:Chen,Zheng; Shen,Rongan; Chen,Chen; Li,Jinpeng; Li,Yadong
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(93) 页码:13155-13158]
  
  = 886-66-8
  反应条件:1.1 Reagents: Sodium Carbonate,Oxygen Catalysts: 2023003-85-0 (Immobilized On Silica Coated Iron Oxide Nanoparticles) Solvents: Benzonitrile; 60 Min,100 °C
  标题:A New Cu Schiff Base Complex With Histidine And Glutaraldehyde Immobilized On Modified Iron Oxide Nanoparticles As A Recyclable Catalyst For The Oxidative Homocoupling Of Terminal Alkynes
  作者:Farzaneh,Faezeh; Rashtizadeh,Elnaz
  参考文献:Journal Of The Iranian Chemical Society 日期:2016 卷标:13(6) 页码:1145-1154]
  
  = 886-66-8
  反应条件:1.1 Reagents: Oxygen Catalysts: Cupric Chloride
  标题:Photocatalytic Oxidation Of Benzyl Alcohol By Homogeneous Cucl2/solvent: A Model System To Explore The Role Of Molecular Oxygen
  作者:Meng,Chao; Yang,Kai; Fu,Xianzhi; Yuan,Rusheng
  参考文献:Acs Catalysis 日期:2015 卷标:5(6) 页码:3760-3766]
  
  637-44-5 = 886-66-8
  反应条件:1.1 Reagents: Triethylamine Catalysts: Magnetite (Fe3O4) (Copper Impregnated),Nickel Monoxide,Copper Oxide (Cuo) (Magnetite Impregnated) Solvents: Dimethylformamide; 2 D,130 °C
  标题:Copper-Impregnated Magnetite As A Heterogeneous Catalyst For The Homocoupling Of Terminal Alkynes
  作者:Perez,Juana M.; Cano,Rafael; Yus,Miguel; Ramon,Diego J.
  参考文献:Synthesis 日期:2013 卷标:45(10) 页码:1373-1379]
  
  = 886-66-8 + 824-42-0
  反应条件:1.1 Reagents: Oxygen Catalysts: Cupric Acetate Solvents: Acetonitrile; Rt; 3.5 H,Reflux
  标题:Cu(Oac)2.H2O-Promoted Tandem β-Alkynyl Elimination Of α- Or β-Hydroxy Propargylic Alcohols And Homocoupling Of The Resulting Alkynyl Species
  作者:Xu,Xiangsheng; Et Al
  参考文献:Journal Of Chemical Research 日期:2013 卷标:37(9) 页码:546-549

海关参考信息

• 2901292000-乙炔
  2902300000-甲苯
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