CAS: 79218-15-8; Tert-Butyl (E)-But-2-Enoate

该化合物是甲酸酯的酯衍生物,其特点是存在一个叔丁基化合物组,该化合物通常用作有机合成的活性中间体,特别是在聚合反应和特殊化学品的生产中;其丁基甲基混合物会增加消毒障碍,在某些应用中会影响反应动能和选择性;该化合物因其稳定性和与各种反应条件的兼容性而备受重视,适合用于精密化学和制药生产;Tert-丁基氯酮由于其易燃性和与强烈氧化剂的潜在再活性,通常在受控制的条件下处理.

英文名称Tert-Butyl (E)-But-2-Enoate
中文名称巴豆酸叔丁酯
IUPAC名称tert-butyl (E)-but-2-enoate
其它别名(E)-2-丁烯酸叔丁酯; Crotonic Acid Tert-Butyl Ester
CAS编号79218-15-8
MFCD编号:MFCD00059055
EINECS号:628-481-8
分子式:C8H14O2
分子量:142.2
产品CID: 1786802
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: QHSPZGZEUDEIQM-AATRIKPKSA-N
InChI=1S/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5-6H,1-4H3/b6-5+…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

相似化合物

107-93-7 6284-46-4 18305-60-7

物理性质

沸点82 °C at 97 mmHg
闪点23 °C
密度0.89 g/cm3
PSA:26.3
LogP:1.9042
折射率n20/D 1.425
溶解性Chloroform (Soluble), Methanol (Soluble)
敏感性远离氧化物。
外观形态无色至几乎无色透明液体
储存条件2-8°C
产品应用该化合物用作合成氨基丁基丁酸乙酸酯的起始材料.

MSDS等安全信息

GHS象形图
GHS符号GHS02 & GHS05;
注释: Flame & Corrosion
危险类别易燃液体类别3
严重眼损伤类别1
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Danger(危险)
危险描述H226 |易燃液体和蒸气.
H318 |造成严重眼损伤.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P210-P233-P240-P241-P242-P243-P280-P370+P378-P501
危险等级3
UN编号3272.0
危险品标志Xi
包装等级Ⅲ
安全声明16-39-26
危险类别码10-41
WGK Germany3

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

625-35-4 = 79218-15-8
反应条件:1.1 Reagents: Zinc Solvents: Benzene1.2 Solvents: Benzene
标题:Zinc Promoted Mild And Efficient Method For The Esterification Of Acid Chlorides With Alcohols
作者:Yadav,J. S.; Reddy,Gondi Sudershan; Srinivas,Dale; Himabindu,Konuru
参考文献:Synthetic Communications 日期:1998 卷标:28(13) 页码:2337-2342]

107-93-7 = 79218-15-8
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Dichloromethane,Water; 1 H,0 °C; 0 °C -> Rt; 48 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; > 7 H,Rt
标题:Microconine [n-Methyl-2-Methyl-3-Methoxy-6-(Deca-1',3',5'-Trienyl)Piperidine,An Alkaloid From Microcos Paniculata]: Synthesis,Stereochemistry And Spectroscopic Data
作者:Davies,Stephen G.; Fletcher,Ai M.; Roberts,Paul M.; Taylor,Cameron E.; Thomson,James E.
参考文献:Tetrahedron 日期:2021 卷标:79]

= 79218-15-8 + 59123-20-5
反应条件:1.1 Reagents: Methyllithium Solvents: Benzene,Tetrahydrofuran
标题:A Powerful New Stereo-Controlled Method For Epoxidation Of Electrophilic Alkenes
作者:Clark,Carol; Hermans,Patricia; Meth-Cohn,Otto; Moore,Clive; Taljaard,Heinrich C.; Et Al
参考文献:Journal Of The Chemical Society 日期:1986 卷标:(17) 页码:1378-80]

= 79218-15-8 + 14036-55-6 + 73981-49-4
反应条件:1.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Tetrahydrofuran; 10 H,400 Psi,100 °C
标题:One-Pot Ester Synthesis From Allyl And Benzyl Halides And Alcohols By Palladium-Catalyzed Carbonylation
作者:Tommasi,Sara; Perrone,Serena; Rosato,Francesca; Salomone,Antonio; Troisi,Luiginio
参考文献:Synthesis 日期:2012 卷标:44(3) 页码:423-430]

41108-81-0 = 79218-15-8
反应条件:1.1 Reagents: Lithium Diisopropylamide
标题:The Peterson Olefination Reaction
作者:Ager,David J.
参考文献:Organic Reactions (Hoboken 日期:1990 卷标:38]

951174-10-0 = 79218-15-8
反应条件:1.1 Solvents: Tetrahydrofuran,Hexane; 30 Min,-78 °C; -78 °C -> Rt1.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
标题:Parallel Synthesis Of Homochiral β-Amino Acids
作者:Davies,Stephen G.; Mulvaney,Andrew W.; Russell,Angela J.; Smith,Andrew D.
参考文献:Tetrahedron: Asymmetry 日期:2007 卷标:18(13) 页码:1554-1566]

625-35-4 = 79218-15-8
反应条件:1.1 Reagents: Diisopropylamine Solvents: Dichloromethane
标题:Syntheses Of The Series Of 4H-Anthra [1,2-B]Pyran Antibiotics. Total Synthesis Of Premithramycinon H
作者:Vitz,Juergen
参考文献:2004]

= 79218-15-8
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Dichloromethane; 1 H,0 °C; 0 °C -> Rt; 48 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7,0 °C
标题:Trading N And O. Part 4: Asymmetric Synthesis Of Syn-β-Substituted-α-Amino Acids
作者:Davies,Stephen G.; Fletcher,Ai M.; Greenaway,Catherine J.; Kennedy,Matthew S.; Mayer,Christoph; Et Al
参考文献:Tetrahedron 日期:2018 卷标:74(38) 页码:5049-5061]

82578-45-8 = 79218-15-8
反应条件:1.1 Reagents: Triphenylphosphine,Diisopropyl Azodicarboxylate Solvents: Tetrahydrofuran; -40 °C
标题:Synthesis Of Chiral β3-Aminoxy Peptides
作者:Yang,Dan; Zhang,Yu-Hui; Li,Bing; Zhang,Dan-Wei
参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(22) 页码:7577-7581

乙酰乙酸叔丁酯置于baker'S Yeast,N-羟基邻苯二甲酰亚胺,偶氮二甲酸二异丙酯,三苯基膦体系中,用四氢呋喃作为反应溶剂,化学反应 24.0H,以54%的收率获得产物巴豆酸叔丁酯
参考文献:Synthesis Of Chiral β3-Aminoxy Peptides
标题:Synthesis Of Chiral β3-Aminoxy Peptides
摘要:A Series Of Chiral Beta(3)-Aminoxy Acids Or Amides With Various Side Chains Have Been Synthesized Via Two Different Approaches. One Is The Arndt-Eistert Homologation Approach,Using Chiral Alpha-Aminoxy Acids As Starting Materials. The Other Approach,Utilizing The Enantioselective Reduction Of Beta-Keto Esters Catalyzed By Baker'S Yeast Or Chiral Ru(II) Complexes,Produces Chiral Beta(3)-Aminoxy Acids With Nonproteinaceous Side Chains. The Oligomers Of Beta(3)-Aminoxy Acids Can Be Readily Prepared Using Edci/hoat As The Coupling Reagent.
DOI:10.1021/jo049174F