CAS: 95-41-0; 2-Hexylcyclopent-2-En-1-One

• 英文名称2-Hexylcyclopent-2-En-1-One
• 中文名称2-hex基环戊烷-2-烯-1-酮
• IUPAC名称2-hexylcyclopent-2-en-1-one
• 其它别名2-己基-2-环戊烯-1-酮; Dihydro-Iso-Jasmone
• CAS编号95-41-0
• MFCD编号:MFCD00036481
• EINECS号:202-417-5
• FDA UNII编号:VSY2Y3L5M0
• 分子式:C11H18O
• 分子量:166.26
• 产品CID: 2007104
• 产品分类有机原料→分子砌块→脂肪环类化合物→环戊烷类化合物

• 相似结构搜索
• InChIKey: VGECIEOJXLMWGO-UHFFFAOYSA-N
• InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数5

相似化合物

物理性质

• 沸点254.5 °C at 760 mmHg
• 闪点107.7±9.8 °C
• 密度0.9±0.1 g/cm3
• PSA:17.07
• LogP:3.2461
• 折射率1.474
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性252.21mg/L at 20°C
• 外观形态无色至淡黄色液体
• 储存条件室温

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
  急性毒性 类别4(吸入)
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H332 |吸入有害.
• 防范说明P264-P280-P302+P352-P362+P364
• 危险品标志Xn
• 危险类别码22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 321155-39-9 = 95-41-0 + 53253-08-0
  反应条件:1.1 Catalysts: Triruthenium Dodecacarbonyl Solvents: Toluene; 10 Min,100 °C1.2 3 H,100 °C; 24 H,100 °C; 100 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt1.4 Reagents: Sodium Bicarbonate; Neutralized,Rt
  标题:Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect Of Pyridylsilyl And Pyrimidylsilyl Groups And Isolation Of Ru Complexes Relevant To Catalytic Reaction
  作者:Itami,Kenichiro; Mitsudo,Koichi; Fujita,Kazuyoshi; Ohashi,Youichi; Yoshida,Junichi
  参考文献:Journal Of The American Chemical Society 日期:2004 卷标:126(35) 页码:11058-11066]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Syntheses Of 2-Cycloalken-1-Ones
  作者:Shimazaki,Makoto; Huang,Zhi Hui; Goto,Mikiko; Suzuki,Noriko; Ohta,Akihiro
  参考文献:Synthesis 日期:1990 卷标:(8) 页码:677-8]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Isomerization Of Alkenes
  作者:Lu,Xingliang; Yu,Xiong; Xie,Liangyi
  参考文献:Youji Huaxue 日期:1985 卷标:(6) 页码:479-85]
  
  83593-56-0 = 95-41-0 [标题:Reaction Conditions
  标题:Conversion Of 2-Alkylcyclopentanones Into 2-Alkyl-2-Cyclopentenones With Hydrated Ferric Chloride And Cupric Chloride
  作者:Cardinale,G.; Laan,J. A. M.; Russell,S. W.; Ward,J. P.
  参考文献:Recueil: Journal Of The Royal Netherlands Chemical Society 日期:1982 卷标:101(6) 页码:199-202]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Palladium-Assisted Alkylation Of Olefins
  作者:Hegedus,Louis S.; Williams,Robert E.; Mcguire,Michael A.; Hayashi,Tamio
  参考文献:Journal Of The American Chemical Society 日期:1980 卷标:102(15) 页码:4973-9]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Synthesis In Jasmone Series. Vii. Preparation Of 2-Alkylcyclopentenones And 2-Alkylcyclopentanones
  作者:Katsin,Nora; Ikan,Raphael
  参考文献:Synthetic Communications 日期:1977 卷标:7(3) 页码:185-8]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Simple Route To 2-Alkylcyclopent-2-Enones
  作者:Caton,Michael P. L.; Coffee,Edward C. J.; Parker,Trevor; Watkins,G. Leonard
  参考文献:Synthetic Communications 日期:1974 卷标:4(5) 页码:303-6]
  
  321155-39-9 = 95-41-0 + 53253-08-0
  反应条件:1.1 Catalysts: Triruthenium Dodecacarbonyl Solvents: Toluene; 3 H,1 Atm,100 °C; 24 H,1 Atm,100 °C
  标题:A Pyridylsilyl Group Expands The Scope Of Catalytic Intermolecular Pauson-Khand Reactions
  作者:Itami,Kenichiro; Mitsudo,Koichi; Yoshida,Junichi
  参考文献:Angewandte Chemie 日期:2002 卷标:41(18) 页码:3481-3484]
  
  3761-92-0 + 33948-35-5 = 95-41-0
  反应条件:1.1 Reagents: Zinc Bromide Solvents: Diethyl Ether,Tetrahydrofuran1.2 Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Dimethylformamide1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Strictly Regiocontrolled α-Monosubstitution Of Cyclic Carbonyl Compounds With Alkynyl And Alkyl Groups Via Pd-Catalyzed Coupling Of Cyclic α-Iodo Enones With Organozincs
  作者:Negishi,Ei-Ichi; Tan,Ze; Liou,Show-Yee; Liao,Baiqiao
  参考文献:Tetrahedron 日期:2000 卷标:56(52) 页码:10197-10207]
  
  159563-19-6 = 95-41-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Convenient Method For Preparation Of 2-Substituted 2-Cyclopenten-1-Ones From Alkyl(Alkenyl) 2-Chloropropyl Ketones
  作者:Kulinkovich,O. G.; Sorokin,V. L.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1994 卷标:30(2) 页码:191-2]
  
  71525-51-4 = 95-41-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Diethyl Ether,Water
  标题:Synthesis Of 2-Alkyl-2-Cyclopenten-1-Ones. A Versatile Kinetic Alkylation-Ozonolysis Procedure For The Preparation Of γ-Keto Aldehydes
  作者:Geraghty,Niall W. A.; Morris,Noreen M.
  参考文献:Synthesis 日期:1989 卷标:(8) 页码:603-7]
  
  105576-06-5 = 95-41-0
  反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Diethyl Ether,Pentane1.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Metal Promoted Cyclization. 10. A Novel Synthesis Of Cyclopentenones And Cyclohexenones Via Cycliacylation Of Lithioalkenylcarboxamides
  作者:Sawada,Hiroyuki; Webb,Michael; Stoll,A. Timothy; Negishi,Eiichi
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(7) 页码:775-8]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Deoxygenation Of Oxiranes With Toluene-P-Sulfonic Acid And Sodium Iodide
  作者:Baruah,Robindra N.; Sharma,Ram P.; Baruah,Jogendra N.
  参考文献:Chemistry & Industry (London 日期:1983 卷标:(13)]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Syntheses Of 2-Alkyl-2-Cyclopentenones From 2,3-Epoxycyclopentanone
  作者:Iwahashi,Takashi; Matsubara,Fumio; Yoshihiro,Yoshiro
  参考文献:Yukagaku 日期:1982 卷标:31(9) 页码:612-14]
  
  80438-44-4 = 95-41-0
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Syntheses Of 2-Alkyl-2-Cyclopentenones And 2-Alkylcyclopentanones From 1-Alkyl-Cis-2,3-Epoxycyclopentanols
  作者:Iwahashi,Takashi; Matsubara,Fumio; Yoshihiro,Yoshiro
  参考文献:Yukagaku 日期:1981 卷标:30(11) 页码:762-6]
  
  17373-89-6 = 95-41-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: 1-Butanol
  标题:Synthesis Of 2-Alkyl-2-Cyclopentenones From 2-Cyclopentenone
  作者:Iwahashi,Takashi; Matubara,Fumio; Yoshihiro,Yoshiro
  参考文献:Nippon Kagaku Kaishi 日期:1981 卷标:(7) 页码:1121-8]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Synthetic Perfumes From Castor Oil. Iv. Preparation Of 2-Hexyl-2-Cyclopenten-1-One From γ-Undecalactone
  作者:Yumoto,Takaari
  参考文献:Nagoya Kogyo Gijutsu Shikensho Hokoku 日期:1979 卷标:28(9) 页码:275-8]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Radical Reactions Of Carbonyl Compounds Initiated By Salts And Oxides Of Metals. Xi. Reaction Of Cyclic Ketones With 1-Alkenes And 1-Alkynes
  作者:Vinogradov,M. G.; Direi,P. A.; Nikishin,G. I.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1977 卷标:13(12) 页码:2498-504]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Allylic Oxidation Of Monoalkyl-Substituted Cyclopentenes
  作者:Thakur,S. B.; Jadhav,K. S.; Shaligram,A. M.; Bhattacharyya,S. C.
  参考文献:Indian Journal Of Chemistry 日期:1975 卷标:13(1) 页码:29-32]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Cyclization Of Undec-10-Enoic Acid By Polyphosphoric Acid
  作者:Ansell,Martin F.; Kafka,T. M.
  参考文献:Tetrahedron 日期:1969 卷标:25(24) 页码:6025-6]
  
  = 95-41-0 [标题:Reaction Conditions
  标题:Syntheses Based On ω-Chloroalkanoic Acids. V. Cyclization Of Oligomeric Esters Of ω-Hydroxycarboxylic Acids
  作者:Belov,V. N.; Eryshev,B. Ya.; Avramenko,V. G.; Bratus,I. N.; Gornostaeva,A. A.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1968 卷标:4(12) 页码:2111-13

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  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
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