CAS: 825-54-7; Cyclopent-1-En-1-Ylbenzene

• 英文名称Cyclopent-1-En-1-Ylbenzene
• 中文名称(环戊-1-烯-1-基)苯
• IUPAC名称cyclopent-1-en-1-ylbenzene
• 其它别名1-苯基环戊烯; Salor-Int L170011-1Ea
• CAS编号825-54-7
• MFCD编号:MFCD00019303
• EINECS号:822-708-6
• 分子式:C11H12
• 分子量:144.22
• 产品CID: 1816058
• 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: CXMYOMKBXNPDIW-UHFFFAOYSA-N
• InChI=1S/C11H12/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,4-5,9H2…
• 计算化学: 氢键受体数*氢键供体数0.0可旋转键数1.0

物理性质

• 熔点22 °C
• 沸点225 °C at 760 mmHg
• 闪点83.5 °C
• 密度1g/cm3
• LogP:3.2539
• 折射率1.567
• 蒸汽压0.133 mmHg at 25 °C
• 外观形态固体
• 储存条件Store at room temperature

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别严重眼刺激 类别2
  水生急性毒性 类别1
  水生慢性毒性 类别1
  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(警告)
• 危险描述H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501
• 危险等级8
• UN编号1760.0
• 危险品标志Xn
• 包装等级Ⅲ

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-Phenylcyclopentene 主要起始原料 Cyclopentanone And Phenylmagnesium Bromide
• 2371-93-9 = 825-54-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
  标题:Regiospecific Syn β-Elimination Of 2-Arylalkyl P-Toluenesulfonates Via Ortho-Lithiation
  作者:Sakai,Makoto; Et Al
  参考文献:Memoirs Of The Faculty Of Science 日期:1994 卷标:19(2) 页码:139-44]
  
  120-92-3 = 825-54-7
  反应条件:1.1 Reagents: Magnesium,Iodine Solvents: Diethyl Ether1.2 Solvents: Diethyl Ether1.3 Reagents: Hydrochloric Acid Solvents: Water1.4 Reagents: P-Toluenesulfonic Acid Solvents: Benzene
  标题:Stereoselective Synthesis Of δ-Lactones From 5-Oxoalkanals Via One-Pot Sequential Acetalization,Tishchenko Reaction,And Lactonization By Cooperative Catalysis Of Samarium Ion And Mercaptan
  作者:Hsu,Jue-Liang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(25) 页码:8573-8584]
  
  120-92-3 = 825-54-7 [标题:Reaction Conditions
  标题:Synthesis And Pharmacological Activity Of 6-Aryl-2-Azabicyclo[4.2.1]Nonanes
  作者:Mazzocchiu,Paul H.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1982 卷标:25(12) 页码:1473-6]
  
  10487-96-4 = 825-54-7
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Benzene; 3 H,Reflux
  标题:Synthesis Of 1-Phenyl-1,2-Cyclohexadiene And 1-(2-Bromocyclohex-2-En-1-Yl)Benzene And Wurtz-Like Condensation Products In The Reaction Of 1-(2,3-Dibromocyclohex-1-En-1-Yl)Benzene With Zinc
  作者:Ceylan,Mustafa; Et Al
  参考文献:Journal Of Chemical Research 日期:2002 卷标:(9) 页码:416-419]
  
  10487-96-4 = 825-54-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: Benzene; 1 H,Reflux
  标题:Mo2C As Pre-Catalyst For The C-H Allylic Oxygenation Of Alkenes And Terpenoids In The Presence Of H2O2
  作者:Kallitsakis,Michael G.; Et Al
  参考文献:Organics 日期:2022 卷标:3(3) 页码:173-186]
  
  10487-96-4 = 825-54-7
  反应条件:1.1 Reagents: Acetic Acid; 1 H,118 °C; 118 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Neutralized
  标题:Enantioselective Photoredox Catalysis Enabled By Proton-Coupled Electron Transfer: Development Of An Asymmetric Aza-Pinacol Cyclization
  作者:Rono,Lydia J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(47) 页码:17735-17738]
  
  825-76-3 = 825-54-7
  反应条件:1.1 Catalysts: Bis(1,5-Cyclooctadiene)Nickel,1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene Solvents: Pentane; 1 H,Rt
  标题:Highly Active Nickel Catalysts For The Isomerization Of Unactivated Vinyl Cyclopropanes To Cyclopentenes
  作者:Zuo,Gang; Et Al
  参考文献:Angewandte Chemie 日期:2004 卷标:43(17) 页码:2277-2279]
  
  17763-67-6 = 825-54-7
  反应条件:1.1 Reagents: Zinc Catalysts: Nickel Acetate,1,2-Bis(Dicyclohexylphosphino)Ethane Solvents: Dimethylacetamide; 15 Min,Rt1.2 24 H,100 °C
  标题:Nickel-Catalyzed Heck Reaction Of Cycloalkenes Using Aryl Sulfonates And Pivalates
  作者:Zhou,Jianrong Steve; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2021 卷标:57(32) 页码:3933-3936]
  
  66950-63-8 = 825-54-7
  反应条件:1.1 Reagents: Zinc Catalysts: Dibromo[1,2-Di(Methoxy-Ko)Ethane]Nickel,(R,R)-Ph-Bpe Solvents: Dimethylformamide; 15 Min,Rt1.2 48 H,100 °C
  标题:Nickel-Catalyzed Heck Reaction Of Cycloalkenes With Inert C-O Bonds Of Aryl Carbonates And Aryl Sulfamates
  作者:Zeng,Xuqun; Et Al
  参考文献:Youji Huaxue 日期:2022 卷标:42(9) 页码:2981-2987]
  
  2996-92-1 + 930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Catalysts: Palladium Diacetate,P,P-Bis(1,1-Dimethylethyl)-N-[2,8,9-Tris(2-Methylpropyl)-1λ5-2,5,8,9-Tetraaza-1-...; 0.5 H,80 °C
  标题:Advantageous Use Of Tbu2P-N=p(Ibunch2Ch2)3N In The Hiyama Coupling Of Aryl Bromides And Chlorides
  作者:Raders,Steven M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(5) 页码:1744-1747]
  
  2248281-38-9 = 825-54-7
  反应条件:1.1 Reagents: Tetrabutylammonium Iodide Solvents: (Trifluoromethyl)Benzene; Rt; 8 - 24 H,25 °C
  标题:Photoinduced Metal-Free Decarboxylative Transformations: Rapid Access To Amines,Alkyl Halides,And Olefins
  作者:Luo,Jia-Jing; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2023 卷标:26(14)]
  
  98-80-6 + 930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Potassium Fluoride,18-Crown-6 Catalysts: Palladium Diacetate,1H-Imidazolium,1,3-Bis(7,10-Dicyclohexyl-9-Phenanthrenyl)-4,5-Dihydro-,Chlorid... Solvents: Tetrahydrofuran; 16 H,50 °C
  标题:Palladium Catalyzed Suzuki-Miyaura Coupling With Aryl Chlorides Using A Bulky Phenanthryl N-Heterocyclic Carbene Ligand
  作者:Song,Chun; Et Al
  参考文献:Tetrahedron 日期:2005 卷标:61(31) 页码:7438-7446]
  
  930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Potassium Fluoride,18-Crown-6 Catalysts: Palladium Diacetate,1H-Imidazolium,1,3-Bis(7,10-Dicyclohexyl-9-Phenanthrenyl)-4,5-Dihydro-,Chlorid... Solvents: Tetrahydrofuran,Water; 24 H,50 °C
  标题:Palladium Catalyzed Suzuki-Miyaura Coupling With Aryl Chlorides Using A Bulky Phenanthryl N-Heterocyclic Carbene Ligand
  作者:Song,Chun; Et Al
  参考文献:Tetrahedron 日期:2005 卷标:61(31) 页码:7438-7446]
  
  3262-89-3 + 120-92-3 = 825-54-7
  反应条件:1.1 Catalysts: (T-4)-Tetrakis(Triphenylphosphine)Nickel,1,2-Bis(Dicyclohexylphosphino)Ethane Solvents: Diglyme; 5 Min,Rt1.2 Catalysts: Water; 24 H,110 °C
  标题:Nickel-Catalyzed Direct Synthesis Of Aryl Olefins From Ketones And Organoboron Reagents Under Neutral Conditions
  作者:Lei,Chuanhu; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(17) 页码:6086-6089]
  
  120-92-3 = 825-54-7
  反应条件:1.1 Solvents: Diethyl Ether,Tetrahydrofuran; 0 °C -> Rt; 30 Min,Rt; 2 H,Reflux
  标题:Identification And Preclinical Evaluation Of The Bicyclic Pyrimidine γ-Secretase Modulator Bms-932481
  作者:Boy,Kenneth M.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2019 卷标:10(3) 页码:312-317]
  
  2371-92-8 = 825-54-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
  标题:Regiospecific Syn β-Elimination Of 2-Arylalkyl P-Toluenesulfonates Via Ortho-Lithiation
  作者:Sakai,Makoto; Et Al
  参考文献:Memoirs Of The Faculty Of Science 日期:1994 卷标:19(2) 页码:139-44]
  
  591-50-4 = 825-54-7
  反应条件:1.1 Catalysts: Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium,Bis(Pinacolato)Diborane; 16 H,60 °C1.2 Reagents: Cesium Carbonate Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Tetrahydrofuran,Water; 16 H,50 °C
  标题:Functionalization Of Unactivated Alkenes Through Iridium-Catalyzed Borylation Of Carbon-Hydrogen Bonds. Mechanism And Synthetic Applications
  作者:Olsson,Vilhelm J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(20) 页码:7715-7723]
  
  120-92-3 = 825-54-7
  反应条件:1.1 Reagents: Magnesium Solvents: Diethyl Ether; Rt -> Reflux; 30 Min,Reflux; Reflux -> 0 °C1.2 0 °C; 1 H,0 °C1.3 Solvents: Water; Cooled1.4 Reagents: Acetic Acid Solvents: Water; 1.5 H,Reflux; Reflux -> Rt1.5 Reagents: Sodium Hydroxide Solvents: Water; Neutralized,Rt
  标题:Enantioselective Hydroazidation Of Trisubstituted Non-Activated Alkenes
  作者:Meyer,Daniel; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(36) 页码:10858-10861]
  
  = 825-54-7
  反应条件:1.1 Catalysts: Bis(Hexafluoroacetylacetonato)Palladium,Tri-Tert-Butylphosphonium Tetrafluoroborate Solvents: 1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone; 10 Min,Rt1.2 Reagents: Diisopropylethylamine; 27 H,120 °C
  标题:Selective Arylation At The Vinylic Site Of Cyclic Olefins
  作者:Wu,Xiaojin; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(42) 页码:4794-4796]
  
  825-76-3 = 825-54-7
  反应条件:1.1 Catalysts: Triphenylsilane,Stereoisomer Of [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2... Solvents: Hexane; 3 H,80 °C1.2 Reagents: Oxygen
  标题:Modular Ni(0)/silane Catalytic System For The Isomerization Of Alkenes
  作者:Kawamura,Kiana E.; Et Al
  参考文献:Organometallics 日期:2022 卷标:41(4) 页码:486-496]
  
  825-76-3 = 825-54-7
  反应条件:1.1 Reagents: 2-Butanol,2-Methyl-,Sodium Salt (1:1) Catalysts: Bis(1,5-Cyclooctadiene)Nickel,Nickel,Bis[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylid... Solvents: Toluene; 2 H,80 °C
  标题:Olefin Functionalization/isomerization Enables Stereoselective Alkene Synthesis
  作者:Liu,Chen-Fei; Et Al
  参考文献:Nature Catalysis 日期:2021 卷标:4(8) 页码:674-683]
  
  17763-67-6 = 825-54-7
  反应条件:1.1 Reagents: Lithium Carbonate (Li2Co3) Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Bis(Hexafluoroacetylacetonato)Palladium Solvents: Veratrole; 48 H,120 °C
  标题:Achieving Vinylic Selectivity In Mizoroki-Heck Reaction Of Cyclic Olefins
  作者:Wu,Xiaojin; Et Al
  参考文献:Chemistry - A European Journal 日期:2013 卷标:19(19) 页码:6014-6020]
  
  16664-58-7 = 825-54-7
  反应条件:1.1 Reagents: Perchloric Acid Solvents: Dichloromethane
  标题:Tris(Aryl)Aminium Hexachloroantimonate: Convenient One-Electron Oxidations For Chemical Electron Transfer With Bicyclic Azoalkanes And Bicyclo[2.1.0]Pentanes
  作者:Adam,Waldemar; Et Al
  参考文献:Tetrahedron Letters 日期:1994 卷标:35(48) 页码:9027-30]
  
  16664-58-7 = 825-54-7 [标题:Reaction Conditions
  标题:Uv-Laser Photochemistry Of Azoalkanes: Surprising Effects Of Phenyl Substitution On The Lifetimes Of 1,3-Cyclopentanediyl And 1,4-Cyclohexanediyl Triplet Diradicals
  作者:Adam,Waldemar; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1989 卷标:111(2) 页码:751-3]
  
  960-16-7 + 930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Cesium Fluoride Catalysts: Tris(Dibenzylideneacetone)Dipalladium,2,8,9-Tris(Phenylmethyl)-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]Undecane Solvents: 1,4-Dioxane; 30 Min,Rt; 40 H,100 °C
  标题:Highly Active Palladium Catalysts Supported By Bulky Proazaphosphatrane Ligands For Stille Cross-Coupling: Coupling Of Aryl And Vinyl Chlorides,Room Temperature Coupling Of Aryl Bromides,Coupling Of Aryl Triflates,And Synthesis Of Sterically Hindered Biaryls
  作者:Su,Weiping; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2004 卷标:126(50) 页码:16433-16439]
  
  98-80-6 + 930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Tris(Dibenzylideneacetone)Dipalladium,[2-(Diphenylphosphino)Phenyl]Ferrocene Solvents: Toluene; 24 H,110 °C
  标题:An Active Ferrocenyl Triarylphosphine For Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Of Aryl Halides
  作者:Kwong,Fuk Yee; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2004 卷标:(20) 页码:2336-2337]
  
  98-80-6 + 930-29-0 = 825-54-7
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Tris(Dibenzylideneacetone)Dipalladium,2-[bis(1,1-Dimethylethyl)Phosphino]-N,N-Diethylbenzamide Solvents: Toluene; 19 H,100 °C
  标题:A Simple And Highly Efficient P,O-Type Ligand For Suzuki-Miyaura Cross-Coupling Of Aryl Halides
  作者:Kwong,Fuk Yee; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2004 卷标:(17) 页码:1922-1923]
  
  66021-70-3 = 825-54-7
  反应条件:1.1 Solvents: O-Xylene; 24 H,160 °C
  标题:Synthesis Of 1-Pyrroline By Denitrogenative Ring Expansion Of Cyclobutyl Azides Under Thermal Conditions
  作者:Miki,Yuya; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2021 卷标:363(14) 页码:3481-3484]
  
  28075-49-2 + 10549-76-5 + 75861-76-6 = 825-54-7
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran
  标题:Phenylation Of Alkenyl Triflates: Reaction With Tetrabutylammonium Difluorotriphenylstannate
  作者:Martinez,A. Garcia; Et Al
  参考文献:Synlett 日期:1994 卷标:(12) 页码:1047-8]
  
  429-77-6 + 10549-76-5 + 75861-76-6 = 825-54-7
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran
  标题:Reactions Of Vinyl And Aryl Triflates With Hypervalent Tin Reagents
  作者:Garcia Martinez,Antonio; Et Al
  参考文献:Organometallics 日期:2001 卷标:20(5) 页码:1020-1023

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902500000-苯乙烯
  2902600000-乙苯
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• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管