CAS: 4180-23-8; (E)-1-Methoxy-4-(Prop-1-En-1-yl)Benzene

• 英文名称(E)-1-Methoxy-4-(Prop-1-En-1-yl)Benzene
• 中文名称茴香烯
• IUPAC名称(E)-1-methoxy-4-(prop-1-en-1-yl)benzene
• 其它别名Anisole, P-Propenyl-; 1-(Methyloxy)-4-[(1E)-Prop-1-En-1-Yl]Benzene; Trans-1-P-Anisylpropene; Unii-A79C64Yd3Q; Benzene, 1-Methoxy-4-(1-Propen-1-yl)-; (E)-1-(4-Methoxyphenyl)Propene; 1-Methoxy-4-[(E)-Prop-1-Enyl]Benzene; Propenylanisole,
• CAS编号4180-23-8
• MFCD编号:MFCD00009284
• EINECS号:224-052-0
• 分子式:C10H12O
• 分子量:148.2
• 产品CID: 1431858
• 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: RUVINXPYWBROJD-ONEGZZNKSA-N
• InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+…
• 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

• 熔点20-21°C
• 沸点237.5°C at 760 mmHg
• 闪点91°C
• 密度0.988 g/mL at 25 °C(文献)
• PH:7 (H2O)
• PSA:9.23
• LogP:2.7283
• 折射率n 20/D 1.561(文献)
• 蒸汽压1.33 hPa (63 °C)
• 溶解性Soluble In Benzene, Ethyl Acetate, Acetone, Carbon Disulfide.
• 敏感性光敏感
• 外观形态透明无色至淡黄色熔融后为液体
• 储存条件2-8°C
• 产品应用己烷雌酚,胆维他的中间体,生产茴香醛的原料.香料,药物制剂辅料等.
• 性质描述反式异构体为无色或微黄色液体或结晶.熔点21.4°C,沸点81-81.5°C/307Pa,相对密度(20/4°C)0.9883,折光率1.5615.与乙醚,氯仿互溶,溶于苯,丙酮,乙酸乙酯,二硫化碳,不溶于水.LD50(大鼠腹腔)900mg/kg.顺式异构体沸点79-79.5°C/307Pa,相对密度(20/4°C)0.9878,折光率1.5546.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤致敏 类别1
  水生慢性毒性 类别3
  水生慢性毒性 类别2
  皮肤致敏 类别1B
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H412 |对水生生物有害并具有长期持续影响.
  H411 |对水生生物有毒并具有长期持续影响.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 防范说明P261-P272-P273-P280-P302+P352-P312-P362+P364-P391-P501
• 危险等级9
• UN编号3082.0
• 危险品标志Xi,N
• 包装等级Ⅲ
• 安全声明36/37-61
• 危险类别码43-51/53
• WGK Germany2

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上下游产品

合成工艺路线路线简述

• 合成目标产物 Trans-Anethole 主要起始原料 Estragole
• 121-97-1 = 4180-23-8 + 25679-28-1 + 2241436-36-0
  反应条件:1.1C:27754-99-0 (Complex With P-Toluenesulfonic Acid And Ha),C:Hfcl4 (Complex With Polyvinylphosphoric Acid And),C:P-Mec6H4So3H,2 H,220°C
  标题:Hydrophobic Species-Enabled Acid-Base Multi-Catalysis For Stereoselective Access To Renewable Trans-Anethole
  作者:By Liu,Yixuan Et Al
  参考文献:Dalton Transactions 日期:2022 卷标:51(43) 页码:16668-16680]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:Nicl2(Pph3)2,C:Zn,C:Pph3,S:Mecn,Rt -> 353K; 2 Min,353K1.21 H,353K
  标题:Nitrile Modulated-Ni(0) Phosphines In Trans-Selective Phenylpropenoids Isomerization: An Allylic Route By A Regular η1-N(End-On) Or An Alkyl Route Via A Flipped-Nitrile?
  作者:By Saputra,Leo Et Al
  参考文献:Molecular Catalysis 日期:2022 卷标:533 页码:112768]
  
  140-67-0 = 4180-23-8
  反应条件:1.1R:Acok,C:1008-89-5,C:52462-29-0,S:Clch2Ch2Cl,10 H,Rt
  标题:Site-Selective Desaturation Of C(Sp3)-C(Sp3) Bonds Via Photoinduced Ruthenium Catalysis
  作者:By Wang,Chuanyong Et Al
  参考文献:Organic Chemistry Frontiers 日期:2022 卷标:9(16) 页码:4316-4327]
  
  637-69-4 + 67-68-5 = 4180-23-8
  反应条件:1.1R:H2O2,C:Fecl3 6H2O,S:Dmso,12 H,120°C
  标题:Regioselective Synthetic Approach To Higher Alkenes From Lower Alkenes With Sulfoxides In The Fe3+/h2O2 System Via Direct Alkylation Or Arylation Of The Csp2-H Bond On The C=c Bond Of Alkenes
  作者:By Su,Miao-Dong Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(11) 页码:7022-7032]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:1308259-99-5,C:Ph3Sih,S:Me(Ch2)4Me,Rt -> 80°C; 30 Min,80°C1.216 H,80°C1.3R:O2
  标题:Modular Ni(0)/silane Catalytic System For The Isomerization Of Alkenes
  作者:By Kawamura,Kiana E. Et Al
  参考文献:Organometallics 日期:2022 卷标:41(4) 页码:486-496]
  
  2749-94-2 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:2674756-90-0,C:T-Bunh2,S:Etoh,2 H,75°C; 75°C -> Rt1.2R:C5H5N,Rt
  标题:An Amine-Assisted Ionic Monohydride Mechanism Enables Selective Alkyne Cis-Semihydrogenation With Ethanol: From Elementary Steps To Catalysis
  作者:By Huang,Zhidao Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(12) 页码:4824-4836]
  
  121-97-1 = 4180-23-8
  反应条件:1.1C:7699-43-6,C:Me(Ch2)15Nme3 br,S:6032-29-7,S:P-C6H4Me2,24 H,120°C
  标题:Hydrophobicity And Co-Solvent Effects On Meerwein-Ponndorf-Verley Reduction/dehydration Cascade Reactions Over Zr-Zeolite Catalysts
  作者:By Zhang,Hongwei Et Al
  参考文献:Journal Of Catalysis 日期:2021 卷标:400 页码:50-61]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:1648823-84-0,C:Pph3,S:Etch2Et,10 H,50°C1.2R:O2
  标题:Highly Z-Selective Double Bond Transposition In Simple Alkenes And Allylarenes Through A Spin-Accelerated Allyl Mechanism
  作者:By Kim,Daniel Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(8) 页码:3070-3074]
  
  58287-11-9 + 5349-60-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1R:Nai,R:Libf4,S:Me2Co,Overnight,45°C2.1R:Dcc,C:4-Dmap3.1R:Nai,R:Libf4,S:Me2Co,Overnight,45°C
  标题:A Donor-Acceptor Complex Enables The Synthesis Of E-Olefins From Alcohols,Amines And Carboxylic Acids
  作者:By Chen,Kun-Quan Et Al
  参考文献:Chemical Science 日期:2021 卷标:12(19) 页码:6684-6690]
  
  1530-32-1 + 123-11-5 = 4180-23-8 + 25679-28-1
  反应条件:1.1R:Buli,S:Thf,S:Me(Ch2)4Me,20 Min,Rt; Rt -> -78°C1.2Rt; Overnight,0°C; 0°C -> Rt; Rt -> 0°C1.3R:Nh4Cl,S:H2O
  标题:A Platform For Alkene Carbofunctionalization With Diverse Nucleophiles
  作者:By Buchanan,Travis L. Et Al
  参考文献:Chemrxiv 日期:2021 卷标:From Chemrxiv 页码:1-9]
  
  140-67-0 = 4180-23-8
  反应条件:1.1C:1428232-73-8,S:Mecn,3 H,Rt
  标题:Catalytic Olefin Transpositions Facilitated By Ruthenium N,N,N-Pincer Complexes
  作者:By Davies,Alex M. Et Al
  参考文献:Chemrxiv 日期:2022 卷标:From Chemrxiv 页码:1-8]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:1109-15-5,S:Phme,24 H,150°C
  标题:B(C6F5)3-Catalyzed E-Selective Isomerization Of Alkenes
  作者:By Kustiana,Betty A. Et Al
  参考文献:Chemistry - A European Journal 日期:2022 卷标:28(63) 页码:E202202454]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:2364655-37-6,C:Et3Bh k,S:Thf,10 Min,Rt1.2S:Thf,24 H,60°C
  标题:Switching Between Hydrogenation And Olefin Transposition Catalysis Via Silencing Nh Cooperativity In Mn(I) Pincer Complexes
  作者:By Yang,Wenjun Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(17) 页码:10818-10825]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:12289-94-0,21 H,150°C
  标题:Parts-Per-Million Of Ruthenium Catalyze The Selective Chain-Walking Reaction Of Terminal Alkenes
  作者:By Sanz-Navarro,Sergio Et Al
  参考文献:Nature Communications 日期:2022 卷标:13(1) 页码:2831]
  
  1530-32-1 + 123-11-5 = 4180-23-8
  反应条件:1.1R:T-Buok,C:Bu4N+ br-,S:Dmf,0-5°C; 0.5 H,Rt; 4 H,90-95°C1.2R:H2O
  标题:Synthesis,Antiepileptic Effects,And Structure-Activity Relationships Of α-Asarone Derivatives: In Vitro And In Vivo Neuroprotective Effect Of Selected Derivatives
  作者:By Zhang,Jian Et Al
  参考文献:Bioorganic Chemistry 日期:2021 卷标:115 页码:105179]
  
  121-97-1 = 4180-23-8 + 104-45-0
  反应条件:1.1R:S:Etoh,3 H,Reflux; Reflux -> 25°C1.2S:H2O,25°C2.1R:Pyrimidopyrimidine,C:Nicl2(Pph3)2,C:258278-25-0,S:Thf,24 H,100°C
  标题:Nickel-Catalyzed Stereoselective Alkenylation Of Ketones Mediated By Hydrazine
  作者:By Xia,Shumei Et Al
  参考文献:Jacs Au 日期:2022 卷标:2(8) 页码:1929-1934]
  
  599-70-2 + 123-11-5 = 4180-23-8 + 25679-28-1
  反应条件:1.1R:Buli,S:Thf,S:Me(Ch2)4Me,30 Min,-78°C1.2S:Thf,15 Min,-78°C; 3 H,Rt; 15 Min,Rt -> -78°C1.3R:T-Buok,R:(Eto)2P(=o)Cl,-78°C; Overnight,Rt1.4R:Nh4Cl,S:H2O,Rt2.1C:Bh3-Me2S,S:Me(Ch2)6Me,30 Min,Rt2.2R:H2,C:2770370-80-2,24 H,130°C,10 Bar
  标题:In Situ Formation Of An Efficient Catalyst For The Semihydrogenation Of Alkynes From Imidazolone And Bh3
  作者:By Wech,Felix And Gellrich,Urs
  参考文献:Acs Catalysis 日期:2022 卷标:12(9) 页码:5388-5396]
  
  1499-21-4 + 81112-07-4 = 4180-23-8
  反应条件:1.1R:Nabh4,S:Meoh,0°C; 10 Min,0°C; 2 H,Rt1.2R:Et3N,C:4-Dmap,S:Ch2Cl2,0°C; Overnight,Rt2.1R:Bu4N+ -Pf6,C:423729-12-8,S:Mecn,12 H,Rt
  标题:Electro-Mediated Photoredox Catalysis For Selective C(Sp3)-O Cleavages Of Phosphinated Alcohols To Carbanions
  作者:By Tian,Xianhai Et Al
  参考文献:Angewandte Chemie 日期:2021 卷标:60(38) 页码:20817-20825]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1C:Ni Dicyclooctadiene,C:321921-71-5,S:Meoh,24 H,40°C
  标题:Development And Mechanistic Studies Of (E)-Selective Isomerization/tandem Hydroarylation Reactions Of Alkenes With A Nickel(0)/phosphine Catalyst
  作者:By Iwamoto,Hiroaki Et Al
  参考文献:Acs Catalysis 日期:2021 卷标:11(11) 页码:6741-6749]
  
  140-67-0 = 4180-23-8 + 25679-28-1 + 104-45-0
  反应条件:1.1C:887001-74-3,C:Bh3 nh3,S:C6D6,16 H,60°C1.2R:O2
  标题:Iron Catalyzed Double Bond Isomerization: Evidence For An Fei/feiii Catalytic Cycle
  作者:By Woof,Callum R. Et Al
  参考文献:Chemistry - A European Journal 日期:2021 卷标:27(19) 页码:5972-5977]
  
  140-67-0 = 4180-23-8 + 25679-28-1
  反应条件:1.1R:K2Co3,C:2578194-00-8,S:H2O,6 H,80°C
  标题:Synthesis,Reactivity,And Coordination Of Semihomologous Dppf Congeners Bearing Primary Phosphine And Primary Phosphine Oxide Groups
  作者:By Horky,Filip Et Al
  参考文献:Organometallics 日期:2021 卷标:40(3) 页码:427-441]
  
  1530-32-1 + 123-11-5 = 4180-23-8
  反应条件:1.1R:Buli,R:Libr,S:Thf,S:Me(Ch2)4Me,5 H,-78°C; -78°C -> Rt; 40 Min,Rt; Rt -> -78°C1.2R:Buli,S:Me(Ch2)4Me,5 Min,-78°C; -78°C -> Rt; 45 Min,Rt; Rt -> -78°C1.3S:Meoh,10 Min,-78°C; -78°C -> Rt; 30 H,Rt
  标题:Mechanistic Studies On Photoinduced Catalytic Olefin Migration Reactions At The Pd(Ii) Centers Of A Porous Crystal,Metal-Macrocycle Framework
  作者:By Yonezawa,Hirotaka Et Al
  参考文献:Chemistry - An Asian Journal 日期:2021 卷标:16(3) 页码:202-206]
  
  140-67-0 = 4180-23-8
  反应条件:1.1C:2569039-84-3,S:Thf,30 Min,Rt
  标题:Tandem Olefin Isomerization/cyclization Catalyzed By Complex Nickel Hydride And Bronsted Acid
  作者:By Kathe,Prasad M. Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(23) 页码:15183-15196

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
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