CAS: 103-48-0; Phenethyl Isobutyrate

该化合物是一种酯类化合物,其分子配方为C12H16O2, 通常用作调味和香味成分;它具有一种水果,花粉和香味的薄膜,适合香水和食品调味方面的应用;该化合物的特点是,在典型的储存条件下具有稳定性,并且低挥发性,确保配制产品的性能一致;它与多种溶剂和其他芳香化合物的兼容性增强了工业应用中的多功能性;苯乙基异丁酸盐通过酯化合成,产生精确配方要求的高纯度;其有据可查的安全特征支持其在受管制行业的使用.

结构式图片

相似化合物

103-45-7 140-26-1 103-52-6

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

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CAS号60-12-8 苯乙醇 | CAS号79-31-2 异丁酸 | CAS号97-62-1 2-甲基丙酸乙酯 | CAS号97-72-3 异丁酸酐 | CAS号39207-65-3 2-异丁酰环己酮 | CAS号111-29-5 1,5-戊二醇 | CAS号79-30-1 异丁酰氯 | CAS号71-43-2 苯 | CAS号43216-34-8 phenethyl 2-bro... | CAS号547-63-7 异丁酸甲酯 | CAS号60-12-8 苯乙醇

合成工艺路线路线简述

    Phenethyl 2-Bromo-2-Methylpropanoate置于异丙醇,反式-二叔丁基连二次硝酸酯体系中,化学反应 5.0H,反应生成异丁酸苯乙酯
    参考文献:Organic Reducing Agents: Some Radical Chain Reactions Of Ketyl And 1,3-Dioxolanyl Radicals With Activated Bromides
    标题:Organic Reducing Agents: Some Radical Chain Reactions Of Ketyl And 1,3-Dioxolanyl Radicals With Activated Bromides
    摘要:The Radical Chain Reduction Of Primary And Secondary Alpha-Bromo Esters By 2-Propanol And 2-Methyldioxolane Has Been Shown To Be A Kinetically Viable Process With Average Chain Lengths Of >10 At Temperatures Between 30 And 60 Degrees C. For Electron-Deficient Bromides,These Simple Organic Reagents May Effectively Replace The More Commonly Used (And More Expensive) Organosilicon Or Tin Hydides. Some Mechanistic Insights Have Been Obtained From A Combination Of Kinetic And Thermodynamic Measurements. The Rate Constants For The Reaction Of The 2-Hydroxy-2-Propyl And The 2-Methyl-1,3-Dioxolan-2-Yl Radicals With A Primary Bromo Ester Have Been Estimated To Be 8 X 10(3) M(-1) S(-1) And 6 X 10(3) M(-1) S(-1),Respectively,At 30 Degrees C In Acetonitrile. The Electrochemical Oxidation Potentials Of A Number Of Electron-Rich Radicals Derived From Hydrogen Atom Abstraction From Alcohols And Dioxolanes,Determined Using Photomodulation Voltammetry,Provide An Assessment Of The Thermochemisty Of The Putative Outer Sphere Electron-Transfer Reaction Between The Radical And The Alpha-Bromo Ester (The Value For 1,3-Dioxolane Has Been Redetermined And Corrects An Erroneous Value Previously Published). From These Data,It Is Shown That The Order Of Reactivity Of The Organic Reducing Agents Follows The Same Trend As The Oxidation Potentials Of The Corresponding Radicals. Rate Constants For The Outer Sphere Electron-Transfer Reduction Of The Bromo Esters By Electrochemically Generated Radical Anions Were Used To Establish A Marcus-Type Relationship Between The Rate Constants And The Standard Potential Of The Reducing Agent. Comparison Of These Rate Constants With Those For The Reactions Of The Electron-Rich Radicals Suggest That The Reactions Of The Methanol; And Ethanol-Derived Radicals Do Not Proceed Via Outer Sphere Electron Transfer As Had Been Previously Suggested But Have Significant Bonding (I.E.,Atom Transfer) Character At The Transition State. Electron Transfer In The Reactions Of The 2-Propanol-And 2-Methyl-1,3-Dioxolane-Derived Radicals Cannot Be Ruled Out. Nevertheless,The Order Of Reactivity Of The Organic Reducing Agents Follows The Same Trend As The Oxidation Potentials Of The Corresponding Radicals Suggesting That These Potentials Can Be Used As A Predictive Tool For The Design Of New Reagents.
    Doi:10.1021/jo00095A050

    专利信息


    专利号:US-2008176857-A1
    优先权日:2005-03-25
    标题 :4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors
    发明人:ENNIS MICHAEL DALTON; KORTUM STEVEN WADE; TENBRINK RUTH ELIZABETH
    权利人:ENNIS MICHAEL DALTON; KORTUM STEVEN WADE; TENBRINK RUTH ELIZABETH
    摘要:Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: n n n n n n n n n n wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , X 4 , X 6 , R 2 , R 4 , R 5 , and R 6 are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

    专利号:US-2008200475-A1
    优先权日:2005-03-28
    标题:4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors
    发明人:ENNIS MICHAEL DALTON; KORTUM STEVEN WADE; TENBRINK RUTH ELIZABETH
    权利人:PFIZER
    摘要:Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: (I) wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , X 4 , X 6 , R 2a , R x , R 4 , R 5 , and R 6 are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

    专利号:US-2008194590-A1
    优先权日:2005-03-28
    标 题:4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors
    发明人:ENNIS MICHAEL DALTON; KORTUM STEVEN WADE; TENBRINK RUTH ELIZABETH
    权利人:PFIZER
    摘要:Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I) wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , X 4 , X 6 , X 2k , R 2l , R 4 , R 5 , and R 6 are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

    专利号:US-10647942-B2
    优先权日:2016-12-22
    标题:Fragrance and flavor materials
    发明人:BLANDINO MAUREEN; LANKIN MICHAEL E
    权利人:TAKASAGO PERFUMERY CO LTD
    摘要:The present disclosure is directed to the synthesis and application of undecavertol derivatives having unique and desired flavor and/or fragrant characteristics. The compounds of the present disclosure can be employed alone or incorporated as fragrance or flavor ingredients in fragrance or flavor compositions. The present disclosure is also directed to consumer products comprising such derivatives and/or fragrance or flavor compositions.

    专利号:US-12114681-B2
    优先权日:2018-06-04
    标题:Fragrance and flavor materials
    发明人:BLANDINO MAUREEN; TANUMA KENJI
    权利人:TAKASAGO PERFUMERY CO LTD
    摘要:The synthesis and application of compounds having unique and desired flavor and/or fragrance characteristics are provided herein. The compounds herein can be employed alone or incorporated as fragrance or flavor ingredients in fragrance or flavor compositions. The application is also directed to consumer products comprising such derivatives and/or fragrance or flavor compositions.

    专利号:US-2021198229-A1
    优先权日:2018-03-08
    标 题 :Fragrance and flavor materials from 1-(2-hydroxy-4-methylcyclohexyl)-ethanone
    发明人:DICKERSON THALIA S; LOMBARDO LOUIS J; LANKIN MICHAEL E
    权利人:TAKASAGO PERFUMERY CO LTD
    摘要:The present disclosure is directed to 1-(2-hydroxy-4-methycyclohexyl)-ethanone derivatives having unique and desired flavor and/or fragrance characteristics, as well as the synthesis and application of the derivatives. The compounds of the present disclosure can be employed alone or incorporated as fragrance or flavor ingredients to modify or enhance already existing fragrance compositions, solvents, media, and the like.
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    ✅ COA系统入驻 | 共享模式

    主要参考文献

    参考标题:Expanding Ester Biosynthesis In Escherichia Coli
    作者:Gabriel M Rodriguez,Yohei Tashiro,Shota Atsumi |发布日期:2014.4
    摘要:The Use Of Coa Thioester Intermediates Drives Formation Of Small- And Medium-Sized Esters In Metabolically Engineered E. Coli Cells, Including Doubly Branched Chains Generated With Enzymes From Amino Acid Degradation Pathways. To Expand The Capabilities Of Whole-Cell Biocatalysis, We Have Engineered Escherichia Coli To Produce Various Esters. The Alcohol O-Acyltransferase (Atf) Class Of Enzyme Uses Acyl-Coa Units For Ester Formation. The Release Of Free Coa Upon Esterification With An Alcohol Provides The Free Energy To Facilitate Ester Formation. The Diversity Of Coa Molecules Found In Nature In Combination With Various Alcohol Biosynthetic Pathways Allows For The Biosynthesis Of A Multitude Of Esters. Small To Medium Volatile Esters Have Extensive Applications In The Flavor, Fragrance, Cosmetic, Solvent, Paint And Coating Industries. The Present Work Enables The Production Of These Compounds By Designing Several Ester Pathways In E. Coli. The Engineered Pathways Generated Acetate Esters Of Ethyl, Propyl, Isobutyl, 2-Methyl-1-Butyl, 3-Methyl-1-Butyl And 2-Phenylethyl Alcohols. In Particular, We Achieved High-Level Production Of Isobutyl Acetate From Glucose (17.2 G L−1). This Strategy Was Expanded To Realize Pathways For Tetradecyl Acetate And Several Isobutyrate Esters.

    合成参考文献


    参考文献:10.1002/cbdv.200900091
    摘要:Maggi F, Cecchini C, Cresci A, Coman M, Tirillini B, Sagratini G, Papa F, Vittori S. Chemical Composition and Antimicrobial Activity of the Essential Oils from Several Hypericum Taxa (Guttiferae) Growing in Central Italy (Appennino Umbro‐Marchigiano). Chemistry & Biodiversity. 2010 Feb;7(2):447–66. doi: 10.1002/cbdv.200900091.
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