CAS: 818-88-2; 10-Methoxy-10-Oxodecanoic Acid

• 英文名称10-Methoxy-10-Oxodecanoic Acid
• 中文名称癸二酸单甲酯
• IUPAC名称10-methoxy-10-oxodecanoic acid
• 其它别名单甲基癸二酸酯
• CAS编号818-88-2
• MFCD编号:MFCD00004439
• EINECS号:212-458-0
• FDA UNII编号:8PZ9NUI78J
• 分子式:C11H20O4
• 分子量:216.27
• 产品CID: 1811050
• 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: OSYQOBUUFRGFNG-UHFFFAOYSA-N
• InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数9.0

相似化合物

物理性质

• 熔点41-44 °C
• 沸点168-170 °C at 3 mmHg
• 闪点110 °C
• 密度0.9825 (粗估)
• pKa:4.78±0.10(预测)
• PSA:63.6
• LogP:2.3648
• 折射率1.4250 (估算)
• 蒸汽压2.8E-05 mmHg at 25 °C
• 外观形态白色至几乎白色粉末至晶体
• 储存条件储存在 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
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P280-P302+P352-P362
• 安全声明22-24/25
• 危险类别码May cause mild eye irritation; [Alfa Aesar MSDS]
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 106-79-6 = 818-88-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Diethyl Ether,Methanol,Acetonitrile; 54 H
  标题:Novel (3,5-Di-Tert-Butyl-2-Hydroxy-Phenylcarbamoyl)-Alkanoic Acids As Potent Antioxidants
  作者:Lodyato,Vladimir I.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2004 卷标:14(16) 页码:4253-4256]
  
  692-88-6 = 818-88-2 [标题:Reaction Conditions
  标题:Pyrolysis Of Esters. Xxvi. Synthesis Of Half Acids By Pyrolysis Of Diesters
  作者:Bailey,William J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1964 卷标:29(5) 页码:1252-4]
  
  = 818-88-2
  反应条件:1.1 Reagents: Oxygen; 16 H,22 °C1.2 Catalysts: Chlorotrimethylsilane Solvents: Methanol,Isopropanol1.3 Reagents: Ozone Solvents: Acetic Acid,Dichloromethane; 10 Min,-78 °C
  标题:Ozone
  作者:Berglund,Richard A.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  111-20-6 = 818-88-2
  反应条件:1.1 Reagents: Alumina Solvents: Dimethylformamide
  标题:Selective Monomethyl Esterification Of Dicarboxylic Acids By Use Of Monocarboxylate Chemisorption On Alumina
  作者:Ogawa,Haruo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1985 卷标:107(5) 页码:1365-9]
  
  112-38-9 = 818-88-2
  反应条件:1.1 Reagents: Ozone Solvents: Acetic Acid,Dichloromethane1.2 Reagents: Oxygen Solvents: Acetic Acid,Dichloromethane1.3 Reagents: Chlorotrimethylsilane Solvents: Methanol,Isopropanol
  标题:Ozone: A Versatile Reagent For Solid Phase Synthesis
  作者:Sylvain,Catherine; Et Al
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(6) 页码:1043-1044]
  
  112-38-9 = 818-88-2
  反应条件:1.1 Catalysts: Dicyclohexylcarbodiimide Solvents: Dimethylformamide2.1 Reagents: Oxygen; 16 H,22 °C2.2 Catalysts: Chlorotrimethylsilane Solvents: Methanol,Isopropanol2.3 Reagents: Ozone Solvents: Acetic Acid,Dichloromethane; 10 Min,-78 °C
  标题:Ozone
  作者:Berglund,Richard A.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  112-38-9 = 818-88-2
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Dimethylformamide2.1 Reagents: Acetic Acid,Ozone Solvents: Dichloromethane; 10 Min,-78 °C2.2 Reagents: Oxygen; Rt2.3 Reagents: Chlorotrimethylsilane Solvents: Isopropanol
  标题:Ozone
  作者:Berglund,Richard A.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-14]
  
  111-20-6 = 818-88-2 + 106-79-6
  反应条件:1.1 25 Min,200 Bar,623 °C1.2 Solvents: Water; Cooled
  标题:Esterification Of Sebacic Acid In Near-Critical And Supercritical Methanol
  作者:Narayan,Ram C.; Et Al
  参考文献:Industrial & Engineering Chemistry Research 日期:2017 卷标:56(10) 页码:2641-2649]
  
  106-79-6 = 818-88-2
  反应条件:1.1 Catalysts: Esterase Solvents: Water
  标题:Pig Liver Esterase Catalyzed Hydrolyses Of Diesters. A New Route To The Syntheses Of Achiral Half-Esters
  作者:Ager,David J.; Et Al
  参考文献:Synthetic Communications 日期:1995 卷标:25(5) 页码:739-42]
  
  106-79-6 = 818-88-2
  反应条件:1.1 Reagents: Barium Hydroxide Solvents: Methanol1.2 Reagents: Hydrochloric Acid
  标题:Bacterial Metabolites. Xxxv. Synthesis And Absolute Configuration Of 2-Hydroxy-12-Methyltridecanoic Acid
  作者:Balzer,T.; Et Al
  参考文献:Zeitschrift Fuer Naturforschung 日期:1987 卷标:42(10) 页码:1367-8]
  
  111-81-9 = 818-88-2
  反应条件:1.1 Reagents: Oxygen,Ozone Solvents: Tetrahydrofuran; 0 °C1.2 Reagents: Aminourea Hydrochloride; Rt
  标题:One-Pot Ozonolytic Synthesis Of Acyclic α,ω-Bifunctional Compounds From Methyl 10-Undecenoate And 10-Undecen-1-Ol
  作者:Legostaeva,Yu. V.; Et Al
  参考文献:Russian Journal Of Applied Chemistry 日期:2015 卷标:88(6) 页码:935-940]
  
  13154-30-8 = 818-88-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol1.2 Reagents: Sodium Hydroxide,Disodium Phosphate,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Water1.3 Reagents: Sodium Bicarbonate Solvents: Water1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:A New,Modulated,Oxidative Ring-Cleavage Of α-Nitro Cycloalkanones By Oxone. Synthesis Of α,ω-Dicarboxylic Acids And α,ω-Dicarboxylic Monomethyl Esters
  作者:Ballini,Roberto; Et Al
  参考文献:Synlett 日期:1998 卷标:(10) 页码:1049-1050]
  
  = 818-88-2
  反应条件:1.1 Reagents: Sodium Telluride Solvents: Dimethylformamide
  标题:Reductive Cleavage Of 2,2,2-Trichloroethyl Esters With Sodium Telluride
  作者:Blay,Gonzalo; Et Al
  参考文献:Synthetic Communications 日期:1998 卷标:28(8) 页码:1405-1414]
  
  624-17-9 = 818-88-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Diethyl Ether,Methanol,Acetonitrile
  标题:The Use Of Potassium Hydroxide-Methanol-Acetonitrile-Ether For Partial Hydrolysis Of Dialkyl Dicarboxylates
  作者:Zav'Yalov,S. I.; Et Al
  参考文献:Izvestiya Akademii Nauk Sssr 日期:1988 卷标:(7)]
  
  111-20-6 = 818-88-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; 2 H,Reflux; Reflux -> Rt1.2 Reagents: Barium Hydroxide Solvents: Methanol; 2 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Synthesis And Antiherpetic Activity Of Novel Purine Conjugates With 7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-1,4-Benzoxazine
  作者:Vozdvizhenskaya,Olga A.; Et Al
  参考文献:Chemistry Of Heterocyclic Compounds (New York 日期:2021 卷标:57(4) 页码:490-497]
  
  111-20-6 = 818-88-2
  反应条件:1.1 Reagents: Boron Trifluoride Etherate Solvents: Diethyl Ether1.2 Reagents: Barium Hydroxide Solvents: Methanol
  标题:Preparation And Biodistribution Of Long-Chain Fatty Acid Analogues 99Tcm-Mama-Fa
  作者:Wu,Zhanhong; Et Al
  参考文献:Tongweisu 日期:2006 卷标:19(3) 页码:135-139]
  
  112-38-9 = 818-88-2
  反应条件:1.1 Reagents: Acetic Acid,Ozone Solvents: Dichloromethane; 10 Min,-78 °C1.2 Reagents: Oxygen; Rt1.3 Reagents: Chlorotrimethylsilane Solvents: Isopropanol
  标题:Ozone
  作者:Berglund,Richard A.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-14]
  
  111-81-9 = 818-88-2
  反应条件:1.1 Reagents: Oxygen,Ozone Solvents: Tetrahydrofuran; 0 °C1.2 Reagents: Hydroxyamine Hydrochloride; Rt
  标题:One-Pot Ozonolytic Synthesis Of Acyclic α,ω-Bifunctional Compounds From Methyl 10-Undecenoate And 10-Undecen-1-Ol
  作者:Legostaeva,Yu. V.; Et Al
  参考文献:Russian Journal Of Applied Chemistry 日期:2015 卷标:88(6) 页码:935-940]
  
  111-20-6 + 693-23-2 = 818-88-2 + 3903-40-0
  反应条件:1.1 Reagents: Alumina Solvents: Dimethylformamide1.2 Solvents: Cyclohexane
  标题:Selective Monoesterification Of The Longer Carbon Chain In A Mixture Of Dicarboxylic Acids By Adsorbing And Aligning The Acids On Alumina
  作者:Ogawa,Haruo; Et Al
  参考文献:Journal Of The Chemical Society 日期:1986 卷标:(17) 页码:1337-8]
  
  111-81-9 = 818-88-2 + 1732-10-1
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Benzene
  标题:Carbon-Carbon Double Bond Cleavage Using Solid-Supported Potassium Permanaganate On Silica Gel
  作者:Tercio,J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1987 卷标:52(16) 页码:3698-9]
  
  111-81-9 = 818-88-2 + 53663-26-6
  反应条件:1.1 Reagents: Oxygen,Ozone Solvents: Isopropanol; 0 °C1.2 Reagents: Aminourea Hydrochloride; Rt
  标题:One-Pot Ozonolytic Synthesis Of Acyclic α,ω-Bifunctional Compounds From Methyl 10-Undecenoate And 10-Undecen-1-Ol
  作者:Legostaeva,Yu. V.; Et Al
  参考文献:Russian Journal Of Applied Chemistry 日期:2015 卷标:88(6) 页码:935-940

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