CAS: 828-51-3; Adamantane-1-Carboxylic Acid

• 英文名称Adamantane-1-Carboxylic Acid
• 中文名称1-金刚烷羧酸
• IUPAC名称adamantane-1-carboxylic acid
• 其它别名1-金刚烷甲酸 1Kg; 三环331137癸烷1羧酸
• CAS编号828-51-3
• MFCD编号:MFCD00074720
• EINECS号:212-584-6
• 分子式:C11H16O2
• 分子量:180.25
• 产品CID: 1818604
• 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: JIMXXGFJRDUSRO-UHFFFAOYSA-N
• InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)…
• 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172-176°C
• 沸点304.7°C at 760 mmHg
• 闪点142.0±13.7 °C
• 密度1.2±0.1 g/cm3
• pKa:4.86±0.20(预测)
• PSA:37.3
• LogP:2.2874
• 折射率1.573
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性Chloroform, Methanol (Slightly)
• 敏感性常温常压下稳定，避免强氧化剂 碱接触
• 外观形态白色至类白色结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用合成盐酸金刚乙胺的中间体.
• 性质描述熔点174-175°C.

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
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 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.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 风险等级Irritant
• 安全声明22-24/25-36-26
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 768-95-6 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid; 5 Min,15 - 20 °C; 2 Min,15 - 20 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Koch-Haaf Reaction Of Adamantanols In An Acid-Tolerant Hastelloy-Made Microreactor
  作者:Fukuyama,Takahide; Et Al
  参考文献:Beilstein Journal Of Organic Chemistry 日期:2011 卷标:7 页码:1288-1293]
  
  = 828-51-3
  反应条件:1.1 Reagents: Ozone Solvents: Methanol,Dichloromethane1.2 Reagents: Dimethyl Sulfide1.3 Reagents: Triethylamine
  标题:3-Butenyl Esters As Convenient Protecting Groups For Carboxylic Acids
  作者:Barrett,Anthony G. M.; Et Al
  参考文献:Tetrahedron Letters 日期:1989 卷标:30(52) 页码:7317-20]
  
  32314-61-7 = 828-51-3
  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]
  
  768-90-1 = 828-51-3
  反应条件:1.1 Reagents: Tetrabutylammonium Bromide,Magnesium Bromide Solvents: Dimethylformamide; 3.5 H
  标题:Suppressing Carboxylate Nucleophilicity With Inorganic Salts Enables Selective Electrocarboxylation Without Sacrificial Anodes
  作者:Corbin,Nathan; Et Al
  参考文献:Chemical Science 日期:2021 卷标:12(37) 页码:12365-12376]
  
  281-23-2 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Dichloromethane,Water; Rt -> 5 °C; 0 - 5 °C1.2 Solvents: Tert-Butanol; 1 H,0 - 5 °C; 1.5 H,0 - 5 °C1.3 Reagents: Water; Cooled1.4 Reagents: Ammonium Hydroxide Solvents: Water; Ph 10 - 111.5 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4
  标题:Synthesis Of N-(3-Chlorophenyl)-1-Adamantanecarboxamide
  作者:Li,Keyan; Et Al
  参考文献:Yingyong Huagong 日期:2009 卷标:38(8) 页码:1178-1180]
  
  281-23-2 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Carbon Tetrachloride; Rt -> 15 °C1.2 10 - 15 °C1.3 Solvents: Tert-Butanol; 1 H,10 - 15 °C; 30 Min,10 - 15 °C1.4 Reagents: Water; Cooled
  标题:Synthesis Of 2-(3-Hydroxy-1-Adamantyl)-2-Glyoxylic Acid
  作者:Li,Jingke; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2012 卷标:43(4) 页码:251-253]
  
  768-90-1 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Hexane; 5 H,Cooled1.2 Reagents: Sodium Hydroxide Solvents: Water1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Convenient Synthesis Of Adamantyl-Substituted Lactams Via Uncatalyzed Staudinger Reaction
  作者:Liu,Mingshun; Et Al
  参考文献:Synthetic Communications 日期:2013 卷标:43(7) 页码:1055-1062]
  
  770-71-8 = 828-51-3
  反应条件:1.1 Reagents: Sodium Bromide,Water,Selectfluor Solvents: Acetonitrile; 19 H,Rt
  标题:Oxidation Of Alcohols And Oxidative Cyclization Of Diols Using Nabr And Selectfluor
  作者:Joshi,Harshit; Et Al
  参考文献:Chemrxiv 日期:2023 卷标:1 页码:1-42]
  
  711-01-3 = 828-51-3
  反应条件:1.1 Reagents: Aluminum,Iodine Solvents: Acetonitrile; 18 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Cleavage Of Carboxylic Esters By Aluminum And Iodine
  作者:Sang,Dayong; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(5) 页码:4254-4261]
  
  281-23-2 = 828-51-3
  反应条件:1.1 Reagents: 2-Methyl-2-Butanol,Sulfuric Acid Solvents: Heptane; 3 H,20 - 25 °C; 1 H,25 °C -> 0 °C
  标题:Scalable Palladium-Catalyzed C(Sp3)-H Carbonylation Of Alkylamines In Batch And Continuous Flow
  作者:Zakrzewski,Jacek; Et Al
  参考文献:Organic Process Research & Development 日期:2023 卷标:27(4) 页码:649-658]
  
  281-23-2 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid
  标题:Reactivity Of (Fluoroalkyl)Adamantanes And Their Derivatives. Iii. Synthesis Of (Fluoroalkyl)Adamantanecarboxylic Acids
  作者:Nazarova,M. P.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1983 卷标:19(3) 页码:565-71]
  
  2094-74-8 = 828-51-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Dipropylene Glycol Dimethyl Ether; Rt; 10 H,80 °C
  标题:Green And Efficient: Oxidation Of Aldehydes To Carboxylic Acids And Acid Anhydrides With Air
  作者:Liu,Kai-Jian; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2018 卷标:6(4) 页码:4916-4921]
  
  = 828-51-3
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 1.5 H,Rt
  标题:A New Method For The Protection Of Carboxylic Acids With A Triisopropylsiloxymethyl Group
  作者:Yoshimura,Hikaru; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:2012 卷标:60(10) 页码:1334-1339]
  
  = 828-51-3
  反应条件:1.1 Solvents: Acetonitrile,Water; 65 Min
  标题:Hydroxymethylaniline Photocages For Carboxylic Acids And Alcohols
  作者:Skalamera,Djani; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(23) 页码:12554-12568]
  
  281-23-2 + 1123-25-7 = 828-51-3
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Carbon Tetrachloride
  标题:Synthesis Of Carboxylic Acids From Alkanes By Transcarboxylation. A Novel Transfunctionalization Reaction Involving A Hydride Transfer
  作者:Lazzeri,Veronique; Et Al
  参考文献:New Journal Of Chemistry 日期:1992 卷标:16(4) 页码:521-4]
  
  1660-04-4 = 828-51-3
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrofluoric Acid,Homopolymer,Compd. With Pyridine
  标题:Synthetic Methods And Reactions. 164. Efficient And Mild Nitrosolysis Of Methyl Aryl And Methyl Tert-Alkyl(Polycycloalkyl) Ketones To Their Corresponding Carboxylic Acids With Sodium Nitrite/pyridinium Poly(Hydrogen Fluoride)
  作者:Olah,George A.; Et Al
  参考文献:Synlett 日期:1991 卷标:(1) 页码:41-3]
  
  768-90-1 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Compounds With Urotropine Structure. Xvii. Adamantane-1-Carboxylic Acid
  作者:Stetter,Hermann; Et Al
  参考文献:Chemische Berichte 日期:1960 卷标:93 页码:1161-6]
  
  770-71-8 = 828-51-3
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: 2069173-90-4 Solvents: Anisole; 24 H,140 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Acceptorless Dehydrogenation Of Primary Alcohols To Carboxylic Acids By Self-Supported Nhc-Ru Single-Site Catalysts
  作者:Yin,Shenxiang; Et Al
  参考文献:Journal Of Catalysis 日期:2022 卷标:408 页码:165-172]
  
  770-71-8 = 828-51-3
  反应条件:1.1 Reagents: Sodium Bromide,Selectfluor Solvents: Acetonitrile,Water; 19 H,Rt
  标题:Oxidations Of Alcohols,Aldehydes,And Diols Using Nabr And Selectfluor
  作者:Joshi,Harshit; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(15) 页码:11240-11252]
  
  7575-82-8 = 828-51-3
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:1-Adamantanol Nitrates In The Koch-Haaf Reaction
  作者:Moiseev,I. K.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1983 卷标:19(5) 页码:1117-18]
  
  711-01-3 = 828-51-3
  反应条件:1.1 Reagents: N,N-Dimethylaniline,Aluminum Chloride Solvents: Dichloromethane
  标题:Mild Deprotection Of Methyl,Benzyl,Methoxymethyl,Methylthiomethyl,Methoxyethoxymethyl,And β-(Trimethylsilyl)Ethoxymethyl Esters With Alcl3-N,N-Dimethylaniline
  作者:Akiyama,Takahiko; Et Al
  参考文献:Synthetic Communications 日期:1994 卷标:24(15) 页码:2179-85]
  
  711-01-3 = 828-51-3
  反应条件:1.1 Reagents: Tributyltin Oxide Solvents: Toluene
  标题:Scope And Mechanism Of Deprotection Of Carboxylic Esters By Bis(Tributyltin) Oxide
  作者:Salomon,Claudio J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(24) 页码:7259-66]
  
  = 828-51-3
  反应条件:1.1 Solvents: Dimethylformamide,Water; 25 °C -> 70 °C; 3 H,70 °C
  标题:Dmf-Mediated Deprotection Of Bulky Silyl Esters Under Neutral And Fluoride-Free Conditions
  作者:Chen,Bo; Et Al
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(3) 页码:253-255]
  
  281-23-2 = 828-51-3
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Carbon Tetrachloride,Tert-Butanol; Rt -> 5 °C; 2 H,0 - 5 °C; 1 H,0 - 5 °C1.2 Reagents: Water; Cooled
  标题:Synthesis Of N-(4-Chlorophenyl)Tricyclo[3.3.1.13,7]Decane-1-Carboxamide [n-(4-Chlorophenyl)-1-Adamantanecarboxamide]
  作者:Wan,You Zhi; Et Al
  参考文献:Beijing Huagong Daxue Xuebao 日期:2007 卷标:34(5) 页码:487-489]
  
  = 828-51-3
  反应条件:1.1 Reagents: Sodium Bicarbonate,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Acetone,Water
  标题:Oxidative Cleavage Of 1,3-Dicarbonyls To Carboxylic Acids With Oxone
  作者:Ashford,Scott W.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(4) 页码:1523-1524]
  
  2094-74-8 = 828-51-3
  反应条件:1.1 Reagents: Oxygen Solvents: Ethyl Acetate,Water; 30 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 12,Rt
  标题:Photoinduced Protocol For Aerobic Oxidation Of Aldehydes To Carboxylic Acids Under Mild Conditions
  作者:Xu,Jun; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2022 卷标:10(43) 页码:14119-14125]
  
  2094-74-8 = 828-51-3
  反应条件:1.1 Reagents: Sodium Cyanide,Pyridinium Chlorochromate Solvents: Tetrahydrofuran
  标题:Modified Pyridinium Chlorochromate Oxidation Of Aldehydes To Carbamoyl Azides/acyl Azides Or Carboxylic Acids
  作者:Reddy,P. Satyanarayana; Et Al
  参考文献:Synthetic Communications 日期:1988 卷标:18(5) 页码:545-51]
  
  = 828-51-3
  反应条件:1.1 Solvents: Dimethylformamide,Water; 25 °C -> 70 °C; 3 H,70 °C
  标题:Dmf-Mediated Deprotection Of Bulky Silyl Esters Under Neutral And Fluoride-Free Conditions
  作者:Chen,Bo; Et Al
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(3) 页码:253-255]
  
  281-23-2 + 1123-25-7 = 828-51-3 [标题:Reaction Conditions
  标题:Carboxylic Acids: Synthesis With Retention Of The Functional Group
  作者:Vedantham,P.; Et Al
  参考文献:Science Of Synthesis 日期:2006 卷标:20 页码:265-305]
  
  1660-04-4 = 828-51-3
  反应条件:1.1 Reagents: Acetic Anhydride,Fuming Nitric Acid Solvents: Acetonitrile; 12 H,0 °C -> Rt; Rt -> 0 °C; 0 °C1.2 Reagents: Diisopropylethylamine; Neutralized,0 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 0 °C -> Rt; 12 - 18 H,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Acetyl Nitrate Mediated Conversion Of Methyl Ketones To Diverse Carboxylic Acid Derivatives
  作者:Capilato,Joseph N.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(24) 页码:5298-5302]
  
  1660-04-4 = 828-51-3
  反应条件:1.1 Reagents: Sodium Hypochlorite,Lithium Hypochlorite Solvents: Ethanol1.2 Reagents: Sodium Pyrosulfite Solvents: Water1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Lithium Hypochlorite-Clorox As A Novel Oxidative Mixture For Methyl Ketones And Methyl Carbinols
  作者:Madler,M. M.; Et Al
  参考文献:Organic Preparations And Procedures International 日期:1998 卷标:30(2) 页码:230-234]
  
  5511-18-2 = 828-51-3
  反应条件:1.1 Reagents: Water Catalysts: Niobium Pentoxide; 24 H,Reflux
  标题:Hydrolysis Of Amides To Carboxylic Acids Catalyzed By Nb2O5
  作者:Siddiki,S. M. A. Hakim; Et Al
  参考文献:Catalysis Science & Technology 日期:2021 卷标:11(5) 页码:1949-1960

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