CAS: 85609-03-6; (4-(Tert-Butyl)Phenyl)(Phenyl)Sulfane

• 英文名称(4-(Tert-Butyl)Phenyl)(Phenyl)Sulfane
• 中文名称(4-(叔丁基)苯基)(苯基)硫烷
• IUPAC名称(4-(tert-Butyl)phenyl)(phenyl)sulfane
• 其它别名4-叔丁基二苯硫醚; 4-Tert-Butyldiphenyl Sulfide
• CAS编号85609-03-6
• MFCD编号:MFCD06200845
• EINECS号:679-554-6
• 分子式:C16H18S
• 分子量:242.39
• 产品CID: 1853350
• 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
• InChIKey: KGRAEJDVHXHGSQ-UHFFFAOYSA-N
• InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 沸点140 °C at 1.3 mmHg
• 闪点158.9 °C
• 密度1.05±0.1 g/cm3(预测)
• LogP:5.1353
• 折射率1.5930-1.5970
• 蒸汽压7.71E-05 mmHg at 25 °C
• 外观形态浅橙色至黄色至绿色透明液体
• 性质描述该品为无色至浅黄色液体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P280-P302+P352-P362+P364
• 危险品标志Xi
• 安全声明S26,S39
• 危险类别码R36/37/38,R41
• 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-Tert-Butyldiphenyl Sulfide 主要起始原料 1-Bromo-4-Tert-Butylbenzene And Diphenyl Disulfide
• 591-50-4 + 35779-04-5 = 85609-03-6
  反应条件:1.1 Reagents: Potassium Ethylxanthate Catalysts: Copper Oxide (Cuo) Solvents: Dimethyl Sulfoxide; 15 H,85 °C; 85 °C -> Rt1.2 Reagents: Potassium Hydroxide; 13 H,85 °C; 85 °C -> Rt1.3 Solvents: Water; Rt
  标题:Synthesis Of Unsymmetrical Sulfides Using Ethyl Potassium Xanthogenate And Recyclable Copper Catalyst Under Ligand-Free Conditions
  作者:Akkilagunta,Vijay Kumar; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(16) 页码:6819-6824]
  
  35779-04-5 = 85609-03-6
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Copper (Immobilized On Sba-15); 6 H,60 °C
  标题:Copper(0) Nanoparticles Immobilized On Sba-15: A Versatile Recyclable Heterogeneous Catalyst For Solvent And Ligand Free C-S Coupling Reaction From Diverse Substrates
  作者:Samanta,Partha Kumar; Et Al
  参考文献:Microporous And Mesoporous Materials 日期:2021 卷标:323]
  
  35779-04-5 = 85609-03-6
  反应条件:1.1 Reagents: Triethylamine Catalysts: Copper Oxide (Cuo),Graphene (Oxide); 5.5 H,90 °C
  标题:Copper Oxide Nanoparticles Supported On Graphene Oxide- Catalyzed S-Arylation: An Efficient And Ligand-Free Synthesis Of Aryl Sulfides
  作者:Kamal,Ahmed; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2013 卷标:355(11-12) 页码:2297-2307]
  
  35779-04-5 + 873-55-2 = 85609-03-6
  反应条件:1.1 Reagents: Tetrabutylammonium Tetrafluoroborate,Potassium Carbonate Catalysts: 4-(Dimethylamino)Pyridine,4,7-Diphenyl-1,10-Phenanthroline,Dibromo[1,2-Di(Methoxy-Ko)Ethane]Nickel Solvents: Dimethylacetamide; 16 H,Rt
  标题:Electrochemistry Enabled Nickel-Catalyzed Selective C-S Bond Coupling Reaction
  作者:Wang,Yang; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(5)]
  
  2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Bis(1,1-Dimethylethyl)Phosphine (Amphiphilic Polystyrene-Polyethylene Glycol Supported),Di-μ-Chlorobis(η3-2-Propenyl)Dipalladium Solvents: Water; 24 H,Reflux
  标题:C-N And C-S Bond Forming Cross Coupling In Water With Amphiphilic Resin-Supported Palladium Complexes
  作者:Hirai,Yoshinori; Et Al
  参考文献:Chemistry Letters 日期:2011 卷标:40(9) 页码:934-935]
  
  2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Cis-1,2-Cyclohexanediol,Cuprous Iodide Solvents: Dimethylformamide; 6 - 15 H,60 - 120 °C
  标题:A Very Active Cu-Catalytic System For The Synthesis Of Aryl,Heteroaryl,And Vinyl Sulfides
  作者:Kabir,M. Shahjahan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(11) 页码:3626-3643]
  
  2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Toluene; 20 Min,Rt1.2 Solvents: Diethyl Ether,Toluene; 10 Min,Rt1.3 Reagents: Potassium Carbonate Solvents: Water; Rt
  标题:Synthesis Of Aryl Thioethers Through The N-Chlorosuccinimide-Promoted Cross-Coupling Reaction Of Thiols With Grignard Reagents
  作者:Cheng,Jun-Hao; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(22) 页码:10369-10374]
  
  3972-65-4 = 85609-03-6
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Zinc Catalysts: (Sp-4-1)-[1,3-Bis[2,6-Bis(1-Ethylpropyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden...; 3 H,Rt
  标题:A Robust Pd-Catalyzed C-S Cross-Coupling Process Enabled By Ball-Milling
  作者:Jones,Andrew C.; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(19) 页码:7433-7438]
  
  3972-65-4 = 85609-03-6
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Cuprous Iodide Solvents: N-Methyl-2-Pyrrolidone; 4 H,195 °C
  标题:Copper-Catalyzed Cross-Coupling Of Aryl Halides And Thiols Using Microwave Heating
  作者:Wu,Yong-Jin; Et Al
  参考文献:Synlett 日期:2003 卷标:(12) 页码:1789-1790]
  
  123324-71-0 = 85609-03-6
  反应条件:1.1 Reagents: Sodium Carbonate,Tetrabutylammonium Tribromide Catalysts: Indium Oxide Solvents: Dimethyl Sulfoxide; 2 H,110 °C
  标题:Role Of Tbatb In Nano Indium Oxide Catalyzed C-S Bond Formation
  作者:Gogoi,Prasanta; Et Al
  参考文献:Scientific Reports 日期:2015 卷标:5]
  
  35779-04-5 + 618-41-7 = 85609-03-6
  反应条件:1.1 Reagents: Pyridine,Diphenylphosphinic Chloride,Zinc Catalysts: 1,10-Phenanthroline,Nickel Chloride Hexahydrate Solvents: Tetrahydrofuran; 9 H,60 °C
  标题:Exploration On Metal-Catalytic Conversion Of Sulfinyl Sulfones
  作者:Li,Yilong; Et Al
  参考文献:Acs Catalysis 日期:2023 卷标:13(20) 页码:13474-13483]
  
  591-50-4 + 2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Cis-1,2-Cyclohexanediol,Cuprous Iodide Solvents: Dimethylformamide; 6 - 15 H,60 - 120 °C
  标题:A Very Active Cu-Catalytic System For The Synthesis Of Aryl,Heteroaryl,And Vinyl Sulfides
  作者:Kabir,M. Shahjahan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(11) 页码:3626-3643]
  
  591-50-4 + 2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 2893764-73-1 Solvents: Dimethylformamide; 3 H,110 °C
  标题:Preparation And Characterization Of A Cu Complex Based On 5-Aminoisophthalic Acid As A Recyclable Metal-Organic Framework For C-S Cross Coupling
  作者:Zabihollahi,Zohreh; Et Al
  参考文献:Journal Of Coordination Chemistry 日期:2022 卷标:75(19-24) 页码:2732-2741]
  
  591-50-4 + 2396-68-1 = 85609-03-6
  反应条件:1.1 Catalysts: Indium Triflate Solvents: Dimethyl Sulfoxide; Rt1.2 Reagents: Potassium Hydroxide Catalysts: N,N,N′,N′-Tetramethylethylenediamine; 24 H,135 °C
  标题:Indium-Catalyzed C-S Cross-Coupling Of Aryl Halides With Thiols
  作者:Reddy,V. Prakash; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(8) 页码:3189-3191]
  
  35779-04-5 = 85609-03-6
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: Iron Chloride (Fecl3),1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Toluene; 24 H,135 °C
  标题:Iron-Catalyzed Thioetherification Of Thiols With Aryl Iodides
  作者:Wu,Jhih-Ru; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2009 卷标:(29) 页码:4450-4452]
  
  1212-08-4 = 85609-03-6
  反应条件:1.1 Reagents: Lithium Solvents: Tetrahydrofuran; 8 H,0 °C1.2 Solvents: Tetrahydrofuran; 2 H,0 °C1.3 Reagents: Water; 0 °C
  标题:Generation Of Aryllithium Reagents From N -Arylpyrroles Using Lithium
  作者:Ozaki,Tomoya; Et Al
  参考文献:Synthesis 日期:2021 卷标:53(17) 页码:3019-3028]
  
  35779-04-5 + 873-55-2 = 85609-03-6
  反应条件:1.1 Reagents: Dabco Catalysts: Glucose,Copper Oxide (Cuo) Solvents: Dimethyl Sulfoxide; Rt; 24 - 36 H,120 °C
  标题:Dabco-Promoted Diaryl Thioether Formation By Metal-Catalyzed Coupling Of Sodium Sulfinates And Aryl Iodides
  作者:Liu,Yanpeng; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(12) 页码:2326-2331]
  
  3972-65-4 = 85609-03-6
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Copper (Immobilized On Sba-15); 6 H,60 °C
  标题:Copper(0) Nanoparticles Immobilized On Sba-15: A Versatile Recyclable Heterogeneous Catalyst For Solvent And Ligand Free C-S Coupling Reaction From Diverse Substrates
  作者:Samanta,Partha Kumar; Et Al
  参考文献:Microporous And Mesoporous Materials 日期:2021 卷标:323]
  
  35779-04-5 + 882-33-7 = 85609-03-6
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Copper Iron Oxide (Cufe2O4) Solvents: Dimethyl Sulfoxide; 24 H,100 °C
  标题:Nano-Cufe2O4 As A Magnetically Separable And Reusable Catalyst For The Synthesis Of Diaryl/aryl Alkyl Sulfides Via Cross-Coupling Process Under Ligand-Free Conditions
  作者:Swapna,Kokkirala; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2011 卷标:9(17) 页码:5989-5996]
  
  3972-65-4 + 882-33-7 = 85609-03-6
  反应条件:1.1 Reagents: Zinc Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Tetrahydrofuran; 24 H,Reflux
  标题:Palladium-Catalyzed Coupling Reaction Of Diaryl Dichalcogenide With Aryl Bromide Leading To The Synthesis Of Unsymmetrical Aryl Chalcogenide
  作者:Fukuzawa,Shin-Ichi; Et Al
  参考文献:Synlett 日期:2006 卷标:(13) 页码:2145-2147]
  
  3972-65-4 + 831-91-4 = 85609-03-6
  反应条件:1.1 Catalysts: Bis(Dibenzylideneacetone)Palladium,4,6-Bis(Diphenylphosphino)Phenoxazine Solvents: Cyclopentyl Methyl Ether; 2 H,24 °C1.2 Reagents: Sodium Bis(Trimethylsilyl)Amide; Rt -> 80 °C; 12 H,80 °C; 80 °C -> Rt1.3 Reagents: Water; Rt
  标题:Palladium-Catalyzed Debenzylative Cross-Coupling Of Aryl Benzyl Sulfides With Aryl Bromides: Synthesis Of Diaryl Sulfides
  作者:Mao,Jianyou; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(20) 页码:5304-5307]
  
  7598-28-9 = 85609-03-6
  反应条件:1.1 Reagents: Lithium Tert-Butoxide Catalysts: 2734057-04-4 Solvents: Dimethylformamide; 6 H,100 °C
  标题:Ni(Ii) Precatalysts Enable Thioetherification Of (Hetero)Aryl Halides And Tosylates And Tandem C-S/c-N Couplings
  作者:Martin,M. Trinidad; Et Al
  参考文献:Chemistry - A European Journal 日期:2021 卷标:27(48) 页码:12320-12326]
  
  123324-71-0 + 873-55-2 = 85609-03-6
  反应条件:1.1 Reagents: Ethanol,Potassium Catalysts: 1,10-Phenanthroline,Acetic Acid,2,2,2-Trifluoro-,Copper(2+) Salt (2:1) Solvents: Dimethyl Sulfoxide; 8 H,120 °C
  标题:Chan-Lam-Type C-S Coupling Reaction By Sodium Aryl Sulfinates And Organoboron Compounds
  作者:Lam,Long Yin; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(15) 页码:6164-6168]
  
  65-85-0 + 2396-68-1 = 85609-03-6
  反应条件:1.1 Reagents: Pivalic Anhydride Catalysts: Bis(1,5-Cyclooctadiene)Nickel,1,3-Bis(Diphenylphosphino)Propane Solvents: Acetonitrile; 12 H,140 °C; 140 °C -> Rt1.2 Reagents: Water; Rt
  标题:Nickel-Catalyzed Decarbonylative Thioetherification Of Carboxylic Acids With Thiols
  作者:Xu,Tianhao; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(13) 页码:8672-8684]
  
  591-50-4 + 65604-75-3 = 85609-03-6
  反应条件:1.1 Reagents: Triethylamine Catalysts: 2234278-59-0 Solvents: Water; 15 Min,120 °C
  标题:Recyclable Imidazolium Ion-Tagged Nickel Catalyst For Microwave-Assisted C-S Cross-Coupling In Water Using Sulfonyl Hydrazide As The Sulfur Source
  作者:Saini,Vaishali; Et Al
  参考文献:New Journal Of Chemistry 日期:2018 卷标:42(15) 页码:12796-12801]
  
  98-80-6 + 65604-75-3 = 85609-03-6
  反应条件:1.1 Catalysts: 2,2′-Bipyridine,Tetrakis(Acetonitrile)Copper(1+) Tetrafluoroborate Solvents: 1,2-Dichloroethane; 15 H,120 °C
  标题:Copper-Catalyzed Sulfenylation Of Boronic Acids With Sulfonyl Hydrazides
  作者:Wang,Ting-Ting; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2015 卷标:357(5) 页码:928-932

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2930909099-其他有机硫化合物
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