CAS: 830-13-7; Cyclododecanone

• 英文名称Cyclododecanone
• 中文名称环十二酮
• IUPAC名称cyclododecanone
• 其它别名环十二烷基酮
• CAS编号830-13-7
• MFCD编号:MFCD00003722
• EINECS号:212-595-6
• FDA UNII编号:WL053118A9
• 分子式:C12H22O
• 分子量:182.31
• 产品CID: 1819664
• 产品分类有机原料→分子砌块→脂肪环类化合物→其它脂肪环类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: SXVPOSFURRDKBO-UHFFFAOYSA-N
• InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点59-61 °C
• 沸点85 °C at 1 mmHg
• 闪点108.8±10.7 °C
• 密度0.9±0.1 g/cm3
• PSA:17.07
• LogP:3.8602
• 折射率1.443
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性0.045G/l
• 敏感性常温常压下稳定，避免强氧化剂 接触
• 外观形态无色至白色粘附性晶体
• 储存条件存储低于 +30°C.
• 产品应用有机合成原料.经硫酸羧胺肟化可得环十二酮肟,是尼龙-12的中间体.
• 性质描述熔点59°C,沸点126-128°C(1.6kPa),相对密度0.9059(66/4°C),折光率1.4571(60°C),闪点120°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS09;
  注释: Environment
• 危险类别水生慢性毒性 类别2
  Aquatic Acute 2
• 警示词Danger
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
  H401 |Toxic to aquatic life
• 防范说明P264-P280-P301+P330+P331
• 危险等级9
• UN编号3077.0
• 危险品标志N
• 包装等级Ⅲ
• 安全声明60-61
• 危险类别码51/53-53-51
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 1724-39-6 = 830-13-7
  反应条件:1.1 Reagents: Trimethylsilyl Peroxide Catalysts: Dipyridinium Dichromate Solvents: Dichloromethane
  标题:Chromium(Vi) Or Ruthenium(Ii) Complex Catalysis In Oxidation Of Alcohols To Aldehydes And Ketones By Means Of Bis(Trimethylsilyl) Peroxide
  作者:Kanemoto,Shigekazu; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(10) 页码:3607-12]
  
  31236-94-9 = 830-13-7
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Lithium Iodide
  标题:Reductive Dehalogenation Of Polyhalo Ketones With Low-Valent Metals And Related Reducing Agents
  作者:Noyori,Ryoji; Et Al
  参考文献:Organic Reactions (Hoboken 日期:1983 卷标:29]
  
  946-89-4 = 830-13-7
  反应条件:1.1 Reagents: Dimethyldioxirane Solvents: Acetone
  标题:Dioxirane Oxidations Of Compounds Other Than Alkenes
  作者:Adam,Waldemar; Et Al
  参考文献:Organic Reactions (Hoboken 日期:2007 卷标:69 页码:1-346]
  
  946-89-4 = 830-13-7
  反应条件:1.1 Reagents: Silica,Dichromic Acid; > 5 Min,Rt1.2 Solvents: Dichloromethane; 10 - 15 Min,Rt
  标题:Oxidative Cleavage Of Oximes With Silica-Gel-Supported Chromic Acid In Nonaqueous Media
  作者:Ali,Mohammed Hashmat; Et Al
  参考文献:Synthetic Communications 日期:2006 卷标:36(12) 页码:1761-1767]
  
  = 830-13-7
  反应条件:1.1 Reagents: Potassium Bromide,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Acetonitrile; 24 H,0 °C -> Rt1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Oxidative Debenzylation Of N-Benzyl Amides And O-Benzyl Ethers Using Alkali Metal Bromide
  作者:Moriyama,Katsuhiko; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(14) 页码:3812-3815]
  
  2986-54-1 = 830-13-7
  反应条件:1.1 Reagents: Potassium Bromide,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Acetonitrile; 30 Min,0 °C; 24 H,30 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Oxidative Debenzylation Of N-Benzyl Amides And O-Benzyl Ethers Using Alkali Metal Bromide
  作者:Moriyama,Katsuhiko; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(14) 页码:3812-3815]
  
  70015-94-0 = 830-13-7
  反应条件:1.1 Catalysts: Eosin Solvents: Acetonitrile; 3 H,Rt
  标题:Visible Light Photoredox Catalyzed Deprotection Of 1,3-Oxathiolanes
  作者:Yang,Mingyang; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2020 卷标:18(2) 页码:288-291]
  
  70015-94-0 = 830-13-7
  反应条件:1.1 Reagents: Acetyl Chloride,Sodium Nitrite Solvents: Dichloromethane; 10 Min,0 - 5 °C1.2 Solvents: Dichloromethane; 5 Min,0 - 5 °C1.3 Reagents: Water; 5 °C -> Rt; 20 Min,Rt
  标题:A Highly Efficient Procedure For Regeneration Of Carbonyl Groups From Their Corresponding Oxathioacetals And Dithioacetals Using Sodium Nitrite And Acetyl Chloride In Dichloromethane
  作者:Khan,Abu T.; Et Al
  参考文献:Synlett 日期:2003 卷标:(3) 页码:377-381]
  
  1501-82-2 = 830-13-7 [标题:Reaction Conditions
  标题:Reductive Dehydrogenation Of α-Halo Carbonyl Compounds Using Sodium Hydrogen Telluride
  作者:Yamashita,Masakazu; Et Al
  参考文献:Science And Engineering Review Of Doshisha University 日期:1984 卷标:25(2) 页码:117-23]
  
  1502-03-0 = 830-13-7
  反应条件:1.1 Reagents: 3,5-Di-Tert-Butyl-1,2-Benzoquinone Solvents: Methanol; 23 °C1.2 Reagents: Oxalic Acid Solvents: Water; 1 H,Ph 4
  标题:5-Tert-Butyl-2-Hydroxy-1,4-Benzoquinone
  作者:Yamamoto,Kana
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2014 卷标:1 页码:1-3]
  
  60719-91-7 = 830-13-7
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Sodium Iodide,Iron(Iii) Acetylacetonate Solvents: Ethyl Acetate,Water; 2.8 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt
  标题:Environmentally Benign Deprotection Of Dithioacetals Using 30% Hydrogen Peroxide Catalyzed By Fe(Acac)3 And Sodium Iodide
  作者:Kirihara,Masayuki; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(40) 页码:5477-5480]
  
  60719-91-7 = 830-13-7
  反应条件:1.1 Reagents: Ferric Nitrate Solvents: Hexane
  标题:A Convenient Oxidative Dethioacetalization Of 1,3-Dithiolanes And 1,3-Dithianes With Iron(Iii) Nitrate And Montmorillonite K10 In Hexane
  作者:Hirano,Masao; Et Al
  参考文献:Synthesis 日期:1997 卷标:(8) 页码:858-860]
  
  1724-39-6 = 830-13-7
  反应条件:1.1 Catalysts: Zinc Oxide (Zno),Copper Oxide (Cuo); 245 - 255 °C
  标题:Producing Cyclododecanone From Cyclododecanol By Continuous Dehydrogenation In Liquid-Solid-Phase Fixed-Bed
  作者:Teng,Hanqiang
  参考文献:Huagong Shikan 日期:2002 卷标:16(8) 页码:41-44]
  
  1724-39-6 = 830-13-7
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Potassium Bromide Solvents: Acetonitrile,Water; 1 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Selective Oxidation Of Alcohols With Alkali Metal Bromides As Bromide Catalysts: Experimental Study Of The Reaction Mechanism
  作者:Moriyama,Katsuhiko; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(13) 页码:6094-6104]
  
  31236-94-9 = 830-13-7
  反应条件:1.1 Reagents: Chromium Chloride (Crcl3),Lithium Aluminum Hydride Solvents: Dimethylformamide,Tetrahydrofuran
  标题:Addition Of Organochromium Reagents To Carbonyl Compounds
  作者:Takai,Kazuhiko
  参考文献:Organic Reactions (Hoboken 日期:2004 卷标:64]
  
  31236-94-9 = 830-13-7
  反应条件:1.1 Reagents: Chromium Chloride (Crcl3),Lithium Aluminum Hydride Solvents: Tetrahydrofuran; Rt
  标题:Lithium Aluminum Hydride-Chromium(Iii) Chloride
  作者:Gillespy,Timothy A.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  65763-18-0 + 65763-17-9 = 830-13-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Ethanol
  标题:Isomerization Of Trans-1,2-Epoxy-Cis,Trans-5,9-Cyclododecadiene,Trans-1,2-Epoxy-Trans,Trans-5,9-Cyclododecadiene,And Trans-Epoxycyclododecane To The Corresponding Ketones Under The Action Of Lithium And Magnesium Bromides And Iodides
  作者:Zakharkin,L. I.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1990 卷标:26(7) 页码:1497-500]
  
  946-89-4 = 830-13-7
  反应条件:1.1 Reagents: Dimethyldioxirane Solvents: Acetone
  标题:Considered As Synthetic Methods And Reactions. 183. Efficient And Mild Oxidation Of Ketoximes To Their Parent Ketones With Dimethyldioxirane
  作者:Olah,George A.; Et Al
  参考文献:Synlett 日期:1993 卷标:(6) 页码:427-9]
  
  2986-54-1 = 830-13-7
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Acetonitrile,Trichloroacetonitrile; 30 Min,0 °C; 24 H,Rt
  标题:Ccl3Cn: A Crucial Promoter Of Mcpba-Mediated Direct Ether Oxidation
  作者:Kamijo,Shin; Et Al
  参考文献:Organic Letters 日期:2010 卷标:12(18) 页码:4195-4197]
  
  2986-54-1 = 830-13-7
  反应条件:1.1 Reagents: Nitrogen Dioxide Solvents: Carbon Tetrachloride
  标题:Oxidation Of Ethers By Nitrogen Dioxide In The Presence Of Silica Gel
  作者:Nishiguchi,Takeshi; Et Al
  参考文献:Journal Of The Chemical Society 日期:1990 卷标:(22) 页码:1607-8]
  
  42858-38-8 = 830-13-7
  反应条件:1.1 Catalysts: Nadph,Reductase Solvents: Dimethyl Sulfoxide,Water; 60 Min,Ph 7,30 °C
  标题:Purification And Characterization Of An Enone Reductase From Sporidiobolus Salmonicolor Tpu 2001 Reacting With Large Monocyclic Enones
  作者:Yamamoto,Kazunori; Et Al
  参考文献:Chemcatchem 日期:2017 卷标:9(19) 页码:3697-3704]
  
  70015-94-0 = 830-13-7
  反应条件:1.1 Reagents: Nitrobenzaldehyde (Polymer-Supported Derivative) Catalysts: Trimethylsilyl Triflate Solvents: Dichloromethane1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Polymer Supported Nitrobenzaldehyde: Efficient,Highly Selective Catalytic,Deprotection Of Oxathioacetals
  作者:Ravindranathan,T.; Et Al
  参考文献:Tetrahedron Letters 日期:1994 卷标:35(47) 页码:8835-8]
  
  14990-47-7 = 830-13-7
  反应条件:1.1 Reagents: Water Catalysts: Amberlyst 15 Solvents: Acetone,Water
  标题:Amberlyst 15,A Superior,Mild,And Selective Catalyst For Carbonyl Regeneration From Nitrogeneous Derivatives
  作者:Ballini,Roberto; Et Al
  参考文献:Journal Of The Chemical Society 日期:1988 卷标:(9) 页码:2563-5]
  
  1501-82-2 = 830-13-7
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Diethyl Ether,Hexane
  标题:One-Pot Conversion Of Olefins To Carbonyl Compounds By Hydroboration/nmo-Trap Oxidation
  作者:Yates,Matthew H.
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(16) 页码:2813-2816]
  
  24459-40-3 = 830-13-7
  反应条件:1.1 Reagents: Sodium Iodide
  标题:Synthetic Methods And Reactions. 85. Reduction Of α-Halo Ketones With Sodium Iodide/chlorotrimethylsilane
  作者:Olah,George A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(17) 页码:3531-2]
  
  85895-36-9 = 830-13-7
  反应条件:1.1 Reagents: Trifluoroacetic Acid,M-Chloroperbenzoic Acid Solvents: Dichloromethane
  标题:A Simple And Convenient Method For The Cleavage Of Dithio Acetals To The Corresponding Carbonyl Compounds
  作者:Cossy,J.
  参考文献:Synthesis 日期:1987 卷标:(12) 页码:1113-15]
  
  1502-03-0 = 830-13-7
  反应条件:1.1 Reagents: Oxalic Acid,3,5-Di-Tert-Butyl-1,2-Benzoquinone Solvents: Methanol,Tetrahydrofuran,Water
  标题:Oxidation Of Primary Amines To Ketones
  作者:Corey,Elias J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1969 卷标:91(6) 页码:1429-32]
  
  160036-85-1 = 830-13-7
  反应条件:1.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane
  标题:Acetal-Induced Cleavage Of Carbon-Carbon Bond Of Mem Ethers (E)-4-Alkyl-1-Trimethylsilyl-1-Alken-4-Ols Providing Ketones
  作者:Horiuchi,Yoshihiro; Et Al
  参考文献:Tetrahedron Letters 日期:1994 卷标:35(43) 页码:7977-80]
  
  60719-91-7 = 830-13-7
  反应条件:1.1 Reagents: Sodium Iodide,Hydrogen Peroxide Catalysts: Tantalum Pentachloride Solvents: Ethyl Acetate,Water; 5.0 H,Rt1.2 Reagents: Sodium Bicarbonate,Sodium Thiosulfate Solvents: Water; Rt
  标题:Deprotection Of Dithioacetals With 30% Hydrogen Peroxide Catalyzed By Tantalum(V) Chloride-Sodium Iodide Or Niobium(V) Chloride-Sodium Iodide
  作者:Kirihara,Masayuki; Et Al
  参考文献:Tetrahedron 日期:2012 卷标:68(5) 页码:1515-1520]
  
  650-06-6 = 830-13-7
  反应条件:1.1 Catalysts: Iodine Solvents: Acetone; 5 Min,56 °C
  标题:Highly Efficient Chemoselective Deprotection Of O,O-Acetals And O,O-Ketals Catalyzed By Molecular Iodine In Acetone
  作者:Sun,Jianwei; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(25) 页码:8932-8934]
  
  650-06-6 = 830-13-7
  反应条件:1.1 Catalysts: Palladium,Bis(Acetonitrile)Dichloro- Solvents: Acetone
  标题:Palladium(Ii)-Catalyzed Acetal/ketal Hydrolysis/exchange Reactions
  作者:Lipshutz,Bruce H.; Et Al
  参考文献:Tetrahedron Letters 日期:1985 卷标:26(6) 页码:705-8]
  
  = 830-13-7
  反应条件:1.1 Reagents: Selenium Dioxide,Hydrogen Peroxide Solvents: Methanol,Water; Ph 7,Rt
  标题:An Efficient Protocol For The Oxidative Hydrolysis Of Ketone Samp Hydrazones Employing Seo2 And H2O2 Under Buffered (Ph 7) Conditions
  作者:Smith,Amos B. Iii; Et Al
  参考文献:Synlett 日期:2009 卷标:(19) 页码:3131-3134

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2914110000-丙酮
  2914120000-丁酮
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