CAS: 821-11-4; (E)-But-2-Ene-1,4-Diol

• 英文名称(E)-But-2-Ene-1,4-Diol
• 中文名称反-2-丁烯-1,4-二醇
• IUPAC名称(E)-but-2-ene-1,4-diol
• 其它别名反-1,4-二羟基-2-丁烯; Trans-1,4-Dihydroxy-2-Butene
• CAS编号821-11-4
• MFCD编号:MFCD00063207
• EINECS号:617-300-8
• 分子式:C4H8O2
• 分子量:88.11
• 产品CID: 1812784
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N
• InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点7°C
• 沸点131.5 °C12 mm Hg(文献)
• 闪点110°C
• 密度1.07 g/mL at 25°C(文献)
• pKa:13.88±0.10(预测)
• PSA:40.46
• LogP:0.1633
• 折射率n20/D 1.478(文献)
• 蒸汽压0.04 [mmHg]
• 溶解性Chloroform, DMSO, Methanol (Slightly)
• 外观形态白色或无色至黄色无色至类白色油状物至半固体
• 储存条件2-8°C
• 产品应用该化合物用于准备Α,,--蛋白质聚苯乙烯.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  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H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P260-P264-P270-P273-P330-P501
• 危险品标志Xn
• 安全声明26-36-24/25
• 危险类别码22-36/37/38
• WGK Germany1

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 2-Butene-1,4-Diol 主要起始原料 2-Butyne-1,4-Diol
• 1576-98-3 = 821-11-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,1,4-Dioxane; 12 H,80 °C; 80 °C -> Rt1.2 Reagents: Triethylamine; Neutralized
  标题:Axinellamines As Broad-Spectrum Antibacterial Agents: Scalable Synthesis And Biology
  作者:Rodriguez,Rodrigo A.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2014 卷标:136(43) 页码:15403-15413]
  
  623-91-6 = 821-11-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride; 1 H,-60 °C -> -20 °C
  标题:Synthetic Scheme For The Preparation Of 13C-Labeled 2,7-Dimethylocta-2,4,6-Triene-1,8-Dial,The Central Part Of Carotenoids
  作者:Van Wijk,Arjan A. C.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2002 卷标:(24) 页码:4217-4221]
  
  = 821-11-4
  反应条件:1.1 Reagents: Triethylamine,Silica
  标题:A New,Facile Method For Detrifluoroacetylation Of Esters With Triethylamine Pretreated Silica Gel
  作者:Ou,Ligong; Et Al
  参考文献:Organic Preparations And Procedures International 日期:1999 卷标:31(3) 页码:333-335]
  
  110-57-6 = 821-11-4
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Preparation Of 2-Butene-1,4-Diol Based On 1,4-Dichloro-2-Butene
  作者:Ovchinnikova,T. F.; Et Al
  参考文献:Osnovn. Organ. Sintez I Neftekhimiya 日期:1977 卷标:(7) 页码:49-53]
  
  6117-80-2 = 821-11-4
  反应条件:1.1 Catalysts: Ruthenium(1+),Dichloro[1-[2,6-Dimethyl-4-(Trimethylammonio)Phenyl]-3,5,5-Trimet... Solvents: Isopropanol; 3 H,Rt
  标题:Towards Sustainable Catalysis - Highly Efficient Olefin Metathesis In Protic Media Using Phase Labelled Cyclic Alkyl Amino Carbene (Caac) Ruthenium Catalysts
  作者:Nagyhazi,Marton; Et Al
  参考文献:Chemcatchem 日期:2020 卷标:12(7) 页码:1953-1957]
  
  = 821-11-4
  反应条件:1.1 Catalysts: Ruthenate(1-),[1,3-Bis(2,4,6-Trimethylphenyl)-2-Imidazolidinylidene][[5-(2-Carb... (Pega Resin Supported) Solvents: Water-D2
  标题:A Solid-Supported Phosphine-Free Ruthenium Alkylidene For Olefin Metathesis In Methanol And Water
  作者:Connon,Stephen J.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(14) 页码:1873-1876]
  
  624-49-7 = 821-11-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 2 H,-10 °C; 16 H,Rt
  标题:Synthesis,Radiosynthesis And In Vivo Preliminary Evaluation Of [11C]Lbt-999,A Selective Radioligand For The Visualization Of The Dopamine Transporter With Pet
  作者:Dolle,Frederic; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2006 卷标:14(4) 页码:1115-1125]
  
  199658-05-4 = 821-11-4
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Ethanol,Benzene; Reflux
  标题:Solid-Phase Access To Polyhydroxypyrrolizidines By 1,3-Dipolar Cycloaddition Of (S)-3-Alkoxypyrroline N-Oxide To Maleate And Crotonate Derivatives
  作者:Pisaneschi,Federica; Et Al
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(33) 页码:5711-5714]
  
  6117-80-2 = 821-11-4
  反应条件:1.1 Catalysts: Ruthenium(1+),(η5-2,4-Cyclopentadien-1-Yl)(4-Methoxy-2-Quinolinecarboxylato-Kn1... Solvents: Water-D2; > 1 H,Rt
  标题:Polycondensation Of Butenediol: Synthesis Of Telechelic 2-Butene-1,4-Diol Oligomers
  作者:Kiesewetter,Matthew K.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2011 卷标:133(41) 页码:16390-16393]
  
  127-08-2 + 821-06-7 = 821-11-4
  反应条件:1.1 Reagents: Tetrabutylammonium Bromide Solvents: Tetrahydrofuran; 14 H,Rt2.1 Reagents: Hydrochloric Acid Solvents: Ethanol,1,4-Dioxane; 12 H,80 °C; 80 °C -> Rt2.2 Reagents: Triethylamine; Neutralized
  标题:Axinellamines As Broad-Spectrum Antibacterial Agents: Scalable Synthesis And Biology
  作者:Rodriguez,Rodrigo A.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2014 卷标:136(43) 页码:15403-15413]
  
  = 821-11-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 36 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Hydroxide,Water; 0 °C; 30 Min,Rt
  标题:Design And Synthesis Of A Nucleoside And A Phosphonate Analogue Constructed On A Branched-Threo-Tetrofuranose Skeleton
  作者:Kiran,Y. B.; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(30) 页码:3949-3952]
  
  = 821-11-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 16 H,65 °C
  标题:First Stereoselective Total Synthesis Of 4(S),5(S)-Oxido-17(S)-Hydroxy-6(E),8(E),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid,The Biosynthetic Precursor Of Resolvins D3 And D4
  作者:Nshimiyimana,Robert; Et Al
  参考文献:Rsc Advances 日期:2022 卷标:12(19) 页码:11613-11618]
  
  = 821-11-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Synthesis Of Stereodefined Polysubstituted Olefins. 1. Sequential Intermolecular Reactions Involving Selective,Stepwise Insertion Of Pd(0) Into Allylic And Vinylic Halide Bonds. The Stereoselective Synthesis Of Disubstituted Olefins
  作者:Organ,Michael G.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2000 卷标:65(23) 页码:7959-7970]
  
  1576-98-3 = 821-11-4
  反应条件:1.1 Catalysts: Hydrochloric Acid Solvents: Diethyl Ether,Ethanol; 16 H,Reflux; Cooled
  标题:Synthesis,Fluorine-18 Radiolabeling,And Biological Evaluation Of N-((E)-4-Fluorobut-2-En-1-Yl)-2β-Carbomethoxy-3β-(4'-Halophenyl)Nortropanes: Candidate Radioligands For In Vivo Imaging Of The Brain Dopamine Transporter With Positron Emission Tomography
  作者:Stehouwer,Jeffrey S.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(15) 页码:5549-5557]
  
  6117-80-2 = 821-11-4
  反应条件:1.1 Catalysts: (Sp-5-41)-Dichloro[[2-(1-Methylethoxy-Ko)Phenyl]Methylene-Kc][4-[97-(Tricyclo[3.... Solvents: Water-D2; 24 H,Rt
  标题:Removable Water-Soluble Olefin Metathesis Catalyst Via Host-Guest Interaction
  作者:Kim,Cheoljae; Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(3) 页码:736-739]
  
  91202-69-6 = 821-11-4
  反应条件:1.1 Reagents: Trichloroacetonitrile Solvents: Dichloromethane; Rt -> 0 °C1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 5 Min,0 °C; 40 Min,0 °C; 5 Min,Rt1.3 Reagents: Boron Trifluoride Etherate; Overnight,Rt1.4 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; Overnight,Rt
  标题:Solid-Phase Synthesis Of Decalin Scaffolds By Robinson Annulation With Immobilized Nazarov Reagents
  作者:Roettger,Svenja; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2006 卷标:(9) 页码:2093-2099]
  
  142-45-0 = 821-11-4
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Action Of Lithium Aluminum Hydride On Acetylenic Acids
  作者:Benedict,Glen E.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1951 卷标:73 页码:5444-5]
  
  = 821-11-4
  反应条件:1.1 Solvents: Dichloromethane; 21 H,Reflux
  标题:Allyl Sulphides In Olefin Metathesis: Catalyst Considerations And Traceless Promotion Of Ring-Closing Metathesis
  作者:Edwards,Grant A.; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(3) 页码:515-518]
  
  = 821-11-4
  反应条件:1.1 Catalysts: (Sp-5-41)-[1,3-Bis(2,4,6-Trimethylphenyl)-2-Imidazolidinylidene]Dichloro[[2-(1-M...,1H-Imidazolium,1,1′-[(25,26,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,... Solvents: Water-D2; 24 H,45 °C
  标题:Metathesis In Pure Water Mediated By Supramolecular Additives
  作者:Brendgen,Thomas; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2009 卷标:351(3) 页码:303-307]
  
  624-49-7 = 821-11-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride
  标题:The Regio- And Stereochemistry Of 1,3-Dipolar Cycloaddition Of A Chiral Methylenenitrone To 1,2-Disubstituted Alkenes
  作者:Ali,Shaikh A.; Et Al
  参考文献:Journal Of Chemical Research 日期:2008 卷标:(1) 页码:38-47]
  
  628-23-9 = 821-11-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 20 Min,0 °C; 0 °C -> Rt; 12 H,Rt; Rt -> 0 °C1.2 Reagents: Ammonium Sulfate Solvents: Water
  标题:Dual Palladium(Ii)/tertiary Amine Catalysis For Asymmetric Regioselective Rearrangements Of Allylic Carbamates
  作者:Bauer,Johannes Moritz; Et Al
  参考文献:Chemistry - A European Journal 日期:2016 卷标:22(16) 页码:5767-5777]
  
  628-23-9 = 821-11-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:Stereochemical Synthesis Of Ring E Analogs Of Methyllycaconitine And 4,5-Disubstituted Oxazolidinones
  作者:Orac,Crina M.
  参考文献:2009 卷标:71(2)]
  
  = 821-11-4
  反应条件:1.1 Reagents: 2,6-Lutidine,4-(Dimethylamino)Pyridine,1,3-Dichloro-1,1,3,3-Tetrakis(1-Methylethyl)Disiloxane Solvents: Dichloromethane; 3 H,Rt1.2 Reagents: 2,6-Lutidine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Overnight,Rt1.3 Reagents: Formic Acid Solvents: Dichloromethane; 10 Min,Rt
  标题:Solid-Phase Synthesis Of Decalin Scaffolds By Robinson Annulation With Immobilized Nazarov Reagents
  作者:Roettger,Svenja; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2006 卷标:(9) 页码:2093-2099]
  
  127-08-2 + 821-06-7 = 821-11-4
  反应条件:1.1 Solvents: Acetic Acid; 21 H,Reflux; Reflux -> Rt2.1 Catalysts: Hydrochloric Acid Solvents: Diethyl Ether,Ethanol; 16 H,Reflux; Cooled
  标题:Synthesis,Fluorine-18 Radiolabeling,And Biological Evaluation Of N-((E)-4-Fluorobut-2-En-1-Yl)-2β-Carbomethoxy-3β-(4'-Halophenyl)Nortropanes: Candidate Radioligands For In Vivo Imaging Of The Brain Dopamine Transporter With Positron Emission Tomography
  作者:Stehouwer,Jeffrey S.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(15) 页码:5549-5557]
  
  = 821-11-4
  反应条件:1.1 Reagents: Chloroacetone Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Methanol; 5 Min,Rt1.2 Reagents: Potassium Carbonate Solvents: Water; 12 H,Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 10 H,Rt2.2 Reagents: Methanol Solvents: Toluene,Water
  标题:Increasing The Efficiency Of The Transannular Diels-Alder Strategy Via Palladium(Ii)-Catalyzed Macrocyclizations
  作者:Iafe,Robert G.; Et Al
  参考文献:Organic Letters 日期:2013 卷标:15(3) 页码:582-585

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
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