CAS: 97-72-3; Isobutyric Acid Anhydride

• ⚠️危险化学品目录(2015年版) 易燃液体,类别3
• 英文名称Isobutyric Acid Anhydride
• 中文名称异丁酸酐
• IUPAC名称2-methylpropanoyl 2-methylpropanoate
• 其它别名Isobutyricanhydride (6CI,7CI,8CI); Propanoic acid, 2-methyl-, anhydride (9CI); 2-Methylpropanoic acid anhydride; 2-Methylpropanoic anhydride; 2-Methylpropionic anhydride; Isobutanoic anhydride; Isobutyric acid anhydride; Isobutyryl anhydride
• CAS编号97-72-3
• MFCD编号:MFCD00008913
• EINECS号:202-603-6
• FDA UNII编号:N85A80FJDT
• 分子式:C8H14O3
• 分子量:158.2
• 产品CID: 2022754
• 产品分类化学试剂 → 有机试剂 → 脂肪酸

• 相似结构搜索
• InChIKey: LSACYLWPPQLVSM-UHFFFAOYSA-N
• InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点-53 °C
• 沸点183.6±8.0 °C at 760 mmHg
• 闪点59.4±0.0 °C
• 密度1.0±0.1 g/cm3
• PSA:43.37
• LogP:1.27
• 折射率1.418
• 蒸汽压0.8±0.3 mmHg at 25°C
• 溶解性Decomposes
• 敏感性易受潮
• 外观形态透明无色液体
• 储存条件存储低于 +30°C.
• 产品应用用作增塑剂及制取异丁酸酯等.
• 性质描述沸点182°C,熔点-53°C,密度0.954g/mLat25°C,蒸气密度5.45,蒸气压10mmHg,折光率n20/D1.406,闪点152°F

MSDS等安全信息

• GHS象形图
• GHS符号GHS06 & GHS05;
  注释: Skull and crossbones & Corrosion
• 危险类别急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  急性毒性 类别3(吸入)
  皮肤腐蚀 类别1A
  金属腐蚀物 类别1
  皮肤腐蚀 类别1C
• 警示词Danger(危险)
• 危险描述H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H331 |吸入会中毒.
  H371 |可能损害器官.
  H290 |可能对金属造成腐蚀.
• 防范说明P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P361+P364
• 危险等级8
• UN编号2924.0
• 危险品标志C
• 包装等级II
• 安全声明26-36/37/39-45
• 危险类别码34-21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 79-31-2 + 79-30-1 = 97-72-3
  反应条件:1.1 Catalysts: (T-4)-Dichlorobis(Triphenylphosphine)Cobalt Solvents: Dichloromethane1.1 Catalysts: (T-4)-Dichlorobis(Triphenylphosphine)Cobalt (Polymer-Supported) Solvents: Dichloromethane
  标题:Preparation Of A Resin-Bound Cobalt Phosphine Complex And Assessment Of Its Use In Catalytic Oxidation And Acid Anhydride Synthesispreparation Of A Resin-Bound Cobalt Phosphine Complex And Assessment Of Its Use In Catalytic Oxidation And Acid Anhydride Synthesis
  作者:Leadbeater,Nicholas E.; Et Al Leadbeater,Nicholas E.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2000 卷标:65(15) 页码:4770-4772]
  
  79-30-1 = 97-72-3
  反应条件:1.1 Reagents: Triethylamine,Cerium Trichloride Solvents: Acetonitrile; 2 H,40 °C
  标题:Response Surface Methodology Based On The Box-Behnken Design For Optimizing The Synthesis Of Symmetrical Anhydrides From Acid Chlorides Using Cerium (Iii) As A Homogeneous Catalyst
  作者:Larba,Seif Eddine; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(28)]
  
  = 97-72-3 [标题:Reaction Conditions
  标题:Chemical Apparatus And Method For Preparing Isobutyric Anhydridepreparation Of Cyclic Nucleotides As Sting Agonistspreparation Method Of 2,2,4,4-Tetramethyl-1,3-Cyclobutanediol
  参考文献:China]
  
  = 97-72-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 4 H,20 Bar,70 °C2.1 Catalysts: Silica; 500 °C
  标题:Preparation Method Of 2,2,4,4-Tetramethyl-1,3-Cyclobutanediol
  参考文献:Korea]
  
  79-31-2 = 97-72-3
  反应条件:1.1 300 Mm Hg -> 80 Mm Hg,115 - 120 °C
  标题:Method And Device For Preparation Of Compounds Using Isobutyric Acid And Acetic Anhydridedehydration Process For Making Isobutyric Anhydride From Isobutyric Acid And Acetic Anhydride
  参考文献:China]
  
  = 97-72-3 + 4478-63-1
  反应条件:1.1 Reagents: Isobutyraldehyde,Oxygen Catalysts: 1H-Imidazole,Cobalt(2+) Salt (2:1) Solvents: Acetonitrile; 5 H,308 K
  标题:Epoxidation Of Olefins With O2 And Isobutyraldehyde Catalyzed By Cobalt (Ii)-Containing Zeolitic Imidazolate Framework Material
  作者:Zhang,Aiping; Et Al
  参考文献:Catalysis Communications 日期:2011 卷标:12(13) 页码:1183-1187]
  
  97-72-3 = 97-72-3
  反应条件:1.1 350 °C -> 500 °C; 0.01 - 1 S,60 - 120 Torr,400 - 500 °C2.1 -
  标题:Method And Device For Preparation Of Compounds Using Isobutyric Acid And Acetic Anhydride
  参考文献:China]
  
  79-31-2 + 199917-57-2 = 97-72-3 + 814-29-9 + 106937-41-1
  反应条件:1.1 Solvents: Benzene
  标题:Dehydration Induced By Intramolecular Redox Character Of A Stable Allylidenetributylphosphorane
  作者:Kawamura,Yasuhiko; Et Al
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(45) 页码:7893-7896]
  
  = 97-72-3 + 79-31-2 + 108-20-3
  反应条件:1.1 Reagents: Methyl Oleate,Oxygen Catalysts: Cobalt Oxide Solvents: Acetonitrile; 6 H,1 Atm,25 °C
  标题:Highly Efficient And Robust Aerobic Co-Oxidation Of Olefins And Aldehydes Over Coox Dispersed Within Hierarchical Silicalite-1 Zeolites
  作者:Li,Chenhao; Et Al
  参考文献:Green Chemistry 日期:2022 卷标:24(16) 页码:6200-6214]
  
  79-31-2 = 97-72-3
  反应条件:1.1 Reagents: Thionyl Chloride,Pyridine,4-Ethenyl-,Polymer With Diethenylbenzene And 1-Ethenyl-4-Ethylbenzene Solvents: Dichloromethane1.1 Reagents: Di-Tert-Butyl Dicarbonate Catalysts: Magnesium Chloride Solvents: Tetrahydrofuran; 6 H,Rt1.1 Reagents: Phosphorus Pentoxide,Sulfuric Acid; 0.5 H,20 °C; 3 H,100 °C
  标题:Phase-Managed Organic Synthesis. 3. Symmetrical Anhydrides From Carboxylic Acids Via Polymer-Assisted Reactionreaction Of Dicarbonates With Carboxylic Acids Catalyzed By Weak Lewis Acids: General Method For The Synthesis Of Anhydrides And Estersmethod For Preparing Low Carbon Chain Symmetric Anhydride
  作者:Fife,Wilmer K.; Et Al Bartoli,Giuseppe; Et Al
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(41) 页码:4937-40]
  
  = 97-72-3
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Bromo[1,1′-Thiobis[methane]]Copper Solvents: Acetonitrile; 5 Min,Rt1.2 Solvents: Acetonitrile; 9 - 12 Min,6 Atm,43 °C; 8 H,43 °C
  标题:Light-Mediated Synthesis Of Aliphatic Anhydrides By Cu-Catalyzed Carbonylation Of Alkyl Halides
  作者:Tung,Pinku; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2023 卷标:145(17) 页码:9423-9427]
  
  = 97-72-3
  反应条件:1.1 Reagents: Trichloroisocyanuric Acid Solvents: Dichloromethane; 1 - 2 Min,Rt; Rt -> 0 °C1.2 Reagents: Triethylamine,Water; Rt
  标题:Metal-Free Oxidative Self-Coupling Of Aldehydes Or Alcohols To Symmetric Carboxylic Anhydrides
  作者:Gaspa,Silvia; Et Al
  参考文献:Tetrahedron Letters 日期:2017 卷标:58(26) 页码:2533-2536]
  
  79-31-2 = 97-72-3
  反应条件:1.1 Catalysts: Trichloroisocyanuric Acid Solvents: Dichloromethane; 1 - 2 Min,Rt; Rt -> 0 °C1.2 0 °C1.3 Reagents: Triethylamine; 0 °C; Rt
  标题:Anhydrides From Aldehydes Or Alcohols Via Oxidative Cross-Coupling
  作者:Gaspa,Silvia; Et Al
  参考文献:New Journal Of Chemistry 日期:2017 卷标:41(3) 页码:931-939]
  
  79-30-1 + 14332-14-0 = 97-72-3 [标题:Reaction Conditions
  标题:Product Class 4: Carboxylic Acid Anhydrides And Their Sulfur,Selenium,And Tellurium Derivatives
  作者:Keller,P. A.
  参考文献:Science Of Synthesis 日期:2006 页码:617-641]
  
  14332-14-0 = 97-72-3 [标题:Reaction Conditions
  标题:Product Class 4: Carboxylic Acid Anhydrides And Their Sulfur,Selenium,And Tellurium Derivatives
  作者:Keller,P. A.
  参考文献:Science Of Synthesis 日期:2006 页码:617-641]
  
  97-72-3 = 97-72-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Chloroform
  标题:Influence Of Aliphatic Amide Terminals On The Thermoresponsive Properties Of Hyperbranched Polyethylenimines
  作者:Qin,Hong-Wei; Et Al
  参考文献:Chinese Journal Of Polymer Science 日期:2014 卷标:32(10) 页码:1338-1347]
  
  22288-39-7 = 97-72-3
  反应条件:1.1 Reagents: Sulfuric Acid; Ph 2.5,40 °C2.1 Reagents: Acetic Anhydride; < 400 Mbar,Rt -> 120 °C
  标题:Process For The Production Of Peroxyesters
  参考文献:World Intellectual Property Organization]
  
  = 97-72-3
  反应条件:1.1 Reagents: Sulfuric Acid Catalysts: Naphtha (Petroleum),Hydrotreated Heavy Solvents: Water; 5 °C -> 27 °C2.1 Reagents: Acetic Anhydride; < 400 Mbar,120 °C
  标题:Process For The Production Of Diacyl Peroxides
  参考文献:World Intellectual Property Organization]
  
  692-61-5 = 97-72-3
  反应条件:1.1 Reagents: Sulfuric Acid; Ph 2.5,40 °C2.1 Reagents: Acetic Anhydride; < 400 Mbar,Rt -> 120 °C
  标题:Process For The Production Of Peroxyesters
  参考文献:World Intellectual Property Organization]
  
  79-31-2 + 98-88-4 = 97-72-3 + 19820-59-8 + 93-97-0
  反应条件:1.1 Reagents: Divinylbenzene-4-Vinylpyridine Copolymer Solvents: Dichloromethane
  标题:Phase-Managed Organic Synthesis. 2. A New Polymer-Assisted Synthesis Of Acid Anhydrides
  作者:Fife,Wilmer K.; Et Al
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(41) 页码:4933-6

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  2912120000-乙醛
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