CAS: 880-52-4; 1-Acetamidoadamantane

• 英文名称1-Acetamidoadamantane
• 中文名称1-乙酰氨基金刚烷
• IUPAC名称N-(adamantan-1-yl)acetamide
• 其它别名1-Acetamidoadamantane; 1-Acetamido-tricyclo[3.3.1.1(3,7)]decane
• CAS编号880-52-4
• MFCD编号:MFCD00074730
• EINECS号:212-914-9
• FDA UNII编号:5283Y1VOII
• 分子式:C12H19NO
• 分子量:193.29
• 产品CID: 1889596
• 产品分类有机原料→分子砌块→桥环类化合物→金刚烷类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N
• InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点148-149 °C
• 沸点329.52 °C at 760 mmHg
• 闪点210.6±3.7 °C
• 密度1.1±0.1 g/cm3
• pKa:16.16±0.20(预测)
• PSA:29.1
• LogP:2.0913
• 折射率1.534
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色至黄色结晶粉末
• 储存条件0-6°C
• 产品应用合成盐酸金刚烷胺的中间体.
• 性质描述熔点148-150°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn,Xi
• 安全声明36-24/25-26
• 危险类别码20/21/22-36/37/38
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 665-66-7 + 1445-45-0 = 880-52-4
  反应条件:1.1 Solvents: Methanol; 15 Min,Rt -> 135 °C
  标题:Direct Preparation Of Amides From Amine Hydrochloride Salts And Orthoesters: A Synthetic And Mechanistic Perspective
  作者:Di Grandi,Martin J.; Et Al
  参考文献:Synthetic Communications 日期:2015 卷标:45(22) 页码:2601-2607]
  
  768-90-1 + 60-35-5 = 880-52-4
  反应条件:1.1 Catalysts: Dimanganese Decacarbonyl; 2 H,130 °C
  标题:Synthesis Of N-(Adamantan-1-Yl)Amides By Reaction Of Carboxylic Acid Amides With 1-Bromo(Chloro)Adamantane Catalyzed By Manganese Compounds
  作者:Khusnutdinov,R. I.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2015 卷标:51(4) 页码:476-479]
  
  281-23-2 = 880-52-4 [标题:Reaction Conditions
  标题:Synthetic Methods And Reactions. 86. Novel Synthesis Of N-(1-Adamantyl)Amides From Adamantane
  作者:Olah,George A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(17) 页码:3532-3]
  
  768-93-4 = 880-52-4
  反应条件:1.1 Reagents: Iodine Pentoxide Solvents: Acetonitrile
  标题:Oxidative Alkylation Of Azoles: Vii. Adamantylation Of Azoles Via Oxidative Generation Of 1-Adamantyl Cations
  作者:Tsypin,V. G.; Et Al
  参考文献:Russian Journal Of Organic Chemistry (Translation Of Zhurnal Organicheskoi Khimii) 日期:2001 卷标:37(12) 页码:1762-1766]
  
  32314-61-7 = 880-52-4
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Synthetic Methods Based On Adamantyl Nitrates. Mono- And Bifunctional Derivatives Of Adamantane
  作者:Moiseev,I. K.; Et Al
  参考文献:Khimiya I Tekhnol. Elementorgan. Poluproduktov I Polimerov 日期:1984 卷标:11 页码:11-20]
  
  768-94-5 = 880-52-4
  反应条件:1.1 Reagents: Bromotrichloromethane Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[3,5-Diflu...; 8 H,Rt
  标题:Iriii-Catalyzed Direct Syntheses Of Amides And Esters Using Nitriles As Acid Equivalents: A Photochemical Pathway
  作者:Talukdar,Ranadeep
  参考文献:New Journal Of Chemistry 日期:2020 卷标:44(14) 页码:5303-5308]
  
  281-23-2 + 60-35-5 = 880-52-4
  反应条件:1.1 Reagents: Nitric Acid Solvents: Water; 10 Min,0 °C1.2 Reagents: Sulfuric Acid Solvents: Water; 10 Min,0 °C1.3 Reagents: Sulfuric Acid; 18 H,0 °C1.4 0.5 H,0 °C; 0.5 H,0 °C; 1.5 H,Rt
  标题:γ-Aminoadamantanecarboxylic Acids Through Direct C-H Bond Amidations
  作者:Wanka,Lukas; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2007 卷标:(9) 页码:1474-1490]
  
  22110-53-8 = 880-52-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Potassium Iodide Solvents: Acetonitrile,Water; 3 H,105 °C
  标题:The Isocyanide Sn2 Reaction
  作者:Patil,Pravin; Et Al
  参考文献:Nature Communications 日期:2023 卷标:14(1)]
  
  768-90-1 + 60-35-5 = 880-52-4
  反应条件:1.1 0.5 H,115 °C1.2 Reagents: Sulfuric Acid Solvents: Acetonitrile; 0.5 H,115 °C; 115 °C -> 125 °C; 3.5 H,125 °C
  标题:A Simple Method For Synthesis Of Amantadine Hydrochloride
  作者:Vu,Binh Duong; Et Al
  参考文献:International Journal Of Pharmaceutical Sciences And Research 日期:2022 卷标:13(2) 页码:763-775]
  
  281-23-2 = 880-52-4
  反应条件:1.1 Reagents: Fuming Nitric Acid; 15 - 20 °C; 0.5 - 1.5 H,15 - 20 °C1.2 15 - 20 °C; 1 H,25 °C
  标题:Synthesis Of Cage Acylamino Derivatives In Nitric Acid Medium
  作者:Klimochkin,Yu. N.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2021 卷标:57(1) 页码:1-12]
  
  768-92-3 = 880-52-4
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Synthetic Methods And Reactions; 66. Nitrosonium Ion Induced Preparation Of Amides From Alkyl (Arylalkyl) Halides With Nitriles,A Mild And Selective Ritter-Type Reaction
  作者:Olah,George A.; Et Al
  参考文献:Synthesis 日期:1979 卷标:(4) 页码:274-6]
  
  768-94-5 = 880-52-4
  反应条件:1.1 Catalysts: 1H-1,4-Diazepine,2,3-Dihydro-5,7-Dimethyl-,Compd. With Perchlorate (1:1); 40 °C; 60 Min,35 - 40 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Cooled
  标题:Diazepinium Perchlorate: A Neutral Catalyst For Mild,Solvent-Free Acetylation Of Carbohydrates And Other Substances
  作者:Giri,Santosh Kumar; Et Al
  参考文献:Rsc Advances 日期:2017 卷标:7(22) 页码:13653-13667]
  
  768-94-5 = 880-52-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; Rt; 16 H,Rt
  标题:Synthesis And Characterization Of Bimetallic Nanoclusters Stabilized By Chiral And Achiral Polyvinylpyrrolidinones. Catalytic C(Sp3)-H Oxidation
  作者:Fan,Huafang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(10) 页码:6742-6759]
  
  935-56-8 + 60-35-5 = 880-52-4
  反应条件:1.1 Catalysts: Dimanganese Decacarbonyl; 2 - 3 H,120 - 130 °C
  标题:Synthesis Of N-(Adamantan-1-Yl)Amides By Reaction Of Carboxylic Acid Amides With 1-Bromo(Chloro)Adamantane Catalyzed By Manganese Compounds
  作者:Khusnutdinov,R. I.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2015 卷标:51(4) 页码:476-479]
  
  768-94-5 = 880-52-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethyl Acetate,Water; 2 H,Rt
  标题:Self-Folding Cavitands
  作者:Rudkevich,Dmitry M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1998 卷标:120(47) 页码:12216-12225]
  
  20594-58-5 = 880-52-4
  反应条件:1.1 Reagents: Triethylamine,Water,Samarium Iodide (Smi2) Solvents: Tetrahydrofuran; Rt; 15 Min,Rt1.2 Reagents: Oxygen; Rt1.3 Reagents: Sodium Thiosulfate Solvents: Water; Rt
  标题:Selective α-Defluorination Of Polyfluorinated Esters And Amides Using Smi2/et3N/h2O
  作者:Wettergren,Jenny; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2010 卷标:46(40) 页码:7596-7598]
  
  665-66-7 = 880-52-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 30 Min,Rt
  标题:Detection Of Cytochrome P450 Substrates By Using A Small-Molecule Droplet Array On An Nadh-Immobilized Solid Surface
  作者:Takayama,Hiroshi; Et Al
  参考文献:Chembiochem 日期:2011 卷标:12(18) 页码:2748-2752]
  
  281-23-2 + 60-35-5 = 880-52-4
  反应条件:1.1 Reagents: Nitric Acid
  标题:Synthesis Of [(Alkoxycarbonyl)Amino]- And (Acetylamino)Adamantanes In Nitric Acid Solution
  作者:Klimochkin,Yu. N.; Et Al
  参考文献:Izvestiya Akademii Nauk Sssr 日期:1988 卷标:(4) 页码:878-80]
  
  828-51-3 = 880-52-4
  反应条件:1.1 Reagents: Iodobenzene Diacetate,Iodine Solvents: Acetonitrile; 6 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Hypervalent Iodine(Iii)-Mediated Decarboxylative Ritter-Type Amination Leading To The Production Of α-Tertiary Amine Derivatives
  作者:Kiyokawa,Kensuke; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(22) 页码:11711-11720]
  
  828-51-3 = 880-52-4
  反应条件:1.1 Reagents: Boron Trifluoride,Water,Selectfluor Catalysts: Iodobenzene Solvents: Acetonitrile; 16 H,25 °C
  标题:Decarboxylative Ritter-Type Amination By Cooperative Iodine (I/iii)-Boron Lewis Acid Catalysis
  作者:Narobe,Rok; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(1) 页码:809-817]
  
  64741-22-6 = 880-52-4 [标题:Reaction Conditions
  标题:Thermolysis Of N,N-Dihalo Derivatives Of Bridgehead And Neopentylamines To The Corresponding Halides
  作者:Roberts,John T.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(26) 页码:5239-43

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2924199090-其他无环酰胺
  2921199090-其他无环单胺
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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