CAS: 928-97-2; (E)-Hex-3-En-1-Ol

• 英文名称(E)-Hex-3-En-1-Ol
• 中文名称反式-3-己烯-1-醇
• IUPAC名称(E)-hex-3-en-1-ol
• 其它别名(3E)-3-己烯-1-醇; Trans-3-Hexen-1-Ol
• CAS编号928-97-2
• MFCD编号:MFCD00002960
• EINECS号:213-193-3
• 分子式:C6H12O分子量:100.16
• 产品CID: 1967700
• 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
• 产品信息参考;;;;
• InChIKey: UFLHIIWVXFIJGU-ONEGZZNKSA-N
• InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数3.0

相似化合物

物理性质

• 熔点99 °C
• 沸点61-62 °C at 12 mmHg
• 闪点58°C
• 密度0.843g/cm3
• pKa:15.00±0.10(预测)
• PSA:20.23
• LogP:1.335
• 折射率n20/D 1.439(文献)
• 溶解性Chloroform (Sparingly), Methanol (Slightly)
• 敏感性1. 常温常压下稳定，避免强氧化剂接触。2. 存在于烟叶中。
• 外观形态无色油状物
• 储存条件冰箱
• 产品应用该化合物用于有机化学合成中间体.这种酒精在香水中找到一点用处,作为"绿色"上注成分的一部分,作为其异构体的修饰剂,以及香草香味,福盖尔等.
• 性质描述沸点61-62°C,密度 0.817g/mLat 25°C,折光率 n 20/D 1.439,闪点 138°F

MSDS等安全信息

• GHS象形图
• GHS符号GHS02;
  注释: Flame
• 危险类别易燃液体 类别3
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
  H319 |造成严重眼刺激.
• 防范说明P210-P233-P240-P241-P242-P243-P261-P264-P272-P280-P302+P352-P362+P364-P370+P378-P501
• 危险等级3
• UN编号1987.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明23-24/25-26
• 危险类别码10-36
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 1726-79-0 = 928-97-2
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Unsaturated Aldehydes And Ketones. Iii. Synthesis Of The Violet-Leaf Aldehyde,Trans,Cis-2,6-Nonadien-1-Al
  作者:Jutz,Christian
  参考文献:Chemische Berichte 日期:1959 卷标:92 页码:1983-9]
  
  102067-52-7 + 102067-51-6 = 928-97-2
  反应条件:1.1 Reagents: Samarium Iodide (Smi2) Solvents: Tetrahydrofuran,1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone
  标题:Ring Scission Of Cyclic β-Halo Ethers With Samarium Diiodide: A Synthesis Of (E)- And (Z)-Enynols
  作者:Crombie,Leslie; Rainbow,Linda J.
  参考文献:Tetrahedron Letters 日期:1988 卷标:29(49) 页码:6517-20]
  
  75-21-8 = 928-97-2
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Octane1.2 Reagents: Methyllithium Solvents: Diethyl Ether1.3 Reagents: Tributylamine; 15 °C1.4 Reagents: Hydrogen Ion Solvents: Water
  标题:Syntheses Using Alkyne-Derived Alkenyl- And Alkynylaluminum Compounds
  作者:Zweifel,George; Miller,Joseph A.
  参考文献:Organic Reactions (Hoboken 日期:1984 卷标:32]
  
  17102-64-6 = 928-97-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),[(1,2,5,6-η)-1,5-Cyclooctadiene][1,1′-(1,2-Ethanediyl)Bis(1,1-Dimet...,2374202-84-1 Solvents: Water-D2; 2 Min,Rt; 12 H,Rt
  标题:A Supramolecular Strategy For Selective Catalytic Hydrogenation Independent Of Remote Chain Length
  作者:Bender,Trandon A.; Bergman,Robert G.; Raymond,Kenneth N.; Toste,F. Dean
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(30) 页码:11806-11810]
  
  57774-24-0 + 75-21-8 = 928-97-2
  反应条件:1.1 Reagents: Methyllithium1.2 -
  标题:Ethylene Oxide
  作者:Thomas,Edward W.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  69112-21-6 = 928-97-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Alumina,Iron,Ruthenium Solvents: Ethanol; 2 Mpa,Rt -> 120 °C; 4 H,120 °C
  标题:Synthesis Method Of Leaf Alcohol From Piperylene
  参考文献:China]
  
  1577-18-0 = 928-97-2
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether; 30 Min,0 °C; 12 H,20 °C1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Pd-Catalyzed γ-Arylation Of γ,δ-Unsaturated O-Carbamates Via An Unusual Haptotropic Rearrangement
  作者:Royal,Titouan; Baudoin,Olivier
  参考文献:Chemical Science 日期:2019 卷标:10(8) 页码:2331-2335]
  
  141-82-2 + 71-36-3 = 928-97-2
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Oxalyl Chloride Solvents: Dichloromethane; 2 Min,-78 °C; 15 Min,-78 °C1.2 Solvents: Dichloromethane; 45 Min,-78 °C1.3 Reagents: Triethylamine Solvents: Dichloromethane; 30 Min,-78 °C; 1 H,-78 °C -> Rt1.4 Reagents: Piperidinium Acetate Solvents: Dimethyl Sulfoxide; 6 - 12 H,100 °C1.5 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 14 H,Reflux1.6 Reagents: Sodium Sulfate Solvents: Water; 0 °C
  标题:Tandem Ibx-Promoted Primary Alcohol Oxidation/opening Of Intermediate β,γ-Diolcarbonate Aldehydes To (E)-γ-Hydroxy-α,β-Enals
  作者:Kumari,Anupama; Gholap,Sachin P.; Fernandes,Rodney A.
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(13) 页码:2278-2290]
  
  13894-61-6 = 928-97-2
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether; 0 °C; 10 Min,0 °C; 0 °C -> Rt; 2.5 H,Rt1.2 Reagents: Water; 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Catalytic Regio- And Enantioselective Oxytrifluoromethylthiolation Of Aliphatic Internal Alkenes By Neighboring Group Assistance
  作者:Xu,Jia; Zhang,Yuanyuan; Qin,Tian; Zhao,Xiaodan
  参考文献:Organic Letters 日期:2018 卷标:20(20) 页码:6384-6388]
  
  102067-52-7 = 928-97-2
  反应条件:1.1 Reagents: Magnesium Solvents: Diethyl Ether
  标题:Ring Scission Reaction Of 2-Alkyl-3-Chlorotetrahydrofurans By Magnesium
  作者:Ding,Xinteng; Ge,Yu; Teng,Zhu; Fan,Junyao
  参考文献:Youji Huaxue 日期:1987 卷标:(4) 页码:291-3]
  
  = 928-97-2
  反应条件:1.1 Reagents: Zinc Chloride,Poly(Methylhydrosiloxane),Sodium Borohydride Solvents: Diisopropyl Ether
  标题:Preparation Of Alcohols Using Hydride Reduction
  参考文献:World Intellectual Property Organization]
  
  73670-87-8 = 928-97-2
  反应条件:1.1 Reagents: Methyldiethoxysilane Catalysts: Sodium Triethylborohydride,(Sp-5-13)-Dichloro[n,N′-[(2,6-Pyridinediyl-Kn)Diethylidyne]Bis[2,6-Bis(1-Methyle... Solvents: Toluene; -78 °C; 1 H,40 °C
  标题:Selective Cobalt-Catalyzed Reduction Of Terminal Alkenes And Alkynes Using (Eto)2Si(Me)H As A Stoichiometric Reductant
  作者:Raya,Balaram; Biswas,Souvagya; Rajanbabu,T. V.
  参考文献:Acs Catalysis 日期:2016 卷标:6(9) 页码:6318-6323]
  
  102067-51-6 = 928-97-2
  反应条件:1.1 Reagents: Samarium Iodide (Smi2) Solvents: Tetrahydrofuran,Hexamethylphosphoramide
  标题:Reductions With Samarium(Ii) Iodide
  作者:Molander,Gary A.
  参考文献:Organic Reactions (Hoboken 日期:1994 卷标:46]
  
  101680-93-7 = 928-97-2
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran
  标题:Acyl Transfer Reactions With Phosphine Oxides: Synthesis Of E-Homoallylic Alcohols,Cyclopropyl Ketones,And γ-Hydroxy Ketones
  作者:Wallace,Paul; Warren,Stuart
  参考文献:Journal Of The Chemical Society 日期:1988 卷标:(11) 页码:2971-8]
  
  928-97-2 = 928-97-2
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tungstic Acid (H2Wo4) (Reaction Products With Selenic Acid),Selenic Acid (Reaction Products With Tungstic Acid) Solvents: Acetonitrile,Water; 10 H,32 °C
  标题:Selenium- Or Tellurium-Containing Tungsten Peroxides And Catalysts Containing Them With High Epoxidation Activity
  参考文献:Japan]
  
  69157-16-0 = 928-97-2
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol
  标题:Insect Sex Pheromones. Stereospecific Syntheses Of Few Lepidoptera Pheromones Containing (E)-Alkene Moiety
  作者:Vig,O. P.; Kad,G. L.; Sabharwal,Arun; Dogra,Vijay; Sharma,Sanjiv
  参考文献:Journal Of The Indian Chemical Society 日期:1989 卷标:66(4) 页码:233-5]
  
  = 928-97-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane,Water
  标题:Transition Metal Promoted Alkylations Of Alkynols
  作者:Coleman,R. A.; O'Doherty,C. M.; Tweedy,H. E.; Harris,T. V.; Thompson,D. W.
  参考文献:Journal Of Organometallic Chemistry 日期:1976 卷标:107(1)]
  
  94922-03-9 = 928-97-2 [标题:Reaction Conditions
  标题:Cleavage Of 2-Ethyl-3-Bromotetrahydrofuran By Magnesium
  作者:Polivin,Yu. N.; Sheveleva,T. S.; Rodin,A. P.; Karakhanov,R. A.
  参考文献:Izvestiya Vysshikh Uchebnykh Zavedenii 日期:1992 卷标:35(9) 页码:110-12]
  
  925-90-6 + 52911-58-7 = 928-97-2 [标题:Reaction Conditions
  标题:Interaction Of 2,3-Dibromotetrahydrofuran With Ethylmagnesium Bromide
  作者:Polivin,Yu. N.; Sheveleva,T. S.; Sorokina,E. V.; Karakhanov,R. A.; Makaya,A. I.; Et Al
  参考文献:Metalloorganicheskaya Khimiya 日期:1991 卷标:4(6) 页码:1257-61]
  
  1577-18-0 = 928-97-2
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 1 H,0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Overnight,0 °C
  标题:Synthesis Of Bicyclic Tetrahydrofurans From Linear Precursors Using Manganese(Iii) Acetate
  作者:Chany,Anne-Caroline; Marx,Leo B.; Burton,Jonathan W.
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(35) 页码:9190-9193

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
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