CAS: 84358-13-4; 1-(Tert-Butoxycarbonyl)Piperidine-4-Carboxylic Acid

• 英文名称1-(Tert-Butoxycarbonyl)Piperidine-4-Carboxylic Acid
• 中文名称1-Boc-4-哌啶甲酸
• IUPAC名称1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
• 其它别名1-(叔丁氧羰基)异哌啶酸; 1-Boc-Piperidine-4-Carboxylic Acid
• CAS编号84358-13-4
• MFCD编号:MFCD00076999
• EINECS号:700-076-1
• FDA UNII编号:AAZ2CAT47B
• 分子式:C11H19NO4
• 分子量:229.27
• 产品CID: 1832004
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→哌啶类化合物

• 相似结构搜索
• InChIKey: JWOHBPPVVDQMKB-UHFFFAOYSA-N
• InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)…
• 计算化学: 氢键受体数3.0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149-153°C
• 沸点353.2°C at 760 mmHg
• 闪点167.4±25.9 °C
• 密度1.2±0.1 g/cm3
• pKa:4.56±0.20(预测)
• PSA:66.84
• LogP:1.7181
• 折射率1.496
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性Insoluble In Water.
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色结晶粉末
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用作制药和化学中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  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)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37/39-24/25
• 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

• 合成目标产物 N-Boc-Piperidine-4-Carboxylic Acid 主要起始原料 Isonipecotic Acid And Di-Tert-Butyl Dicarbonate
• 84358-13-4 = 84358-13-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Potassium Iodide Solvents: Dimethylformamide; 25 H,70 °C
  标题:An Efficient And Economical Procedure For The Attachment Of Boc-Protected Amino Acids To Chloromethyl Resin
  作者:Han,Xiang; Et Al
  参考文献:Youji Huaxue 日期:2007 卷标:27(4) 页码:536-540]
  
  123855-51-6 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Bromide,Selectfluor Solvents: Acetonitrile,Water; 4 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]
  
  142851-03-4 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 4 H,Rt; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Optimization Of Novel Indole-2-Carboxamide Inhibitors Of Neurotropic Alphavirus Replication
  作者:Sindac,Janice A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(22) 页码:9222-9241]
  
  24424-99-5 = 84358-13-4
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Tetrahydrofuran; Rt; 1 H,80 °C1.2 Reagents: Methylamine,Ammonia Solvents: Water; 30 Min,Rt1.3 Solvents: Water; Ph 7.5,Rt
  标题:Reagent-Based Scaffold Diversity For Dna-Encoded Library Design: Solid Phase Synthesis Of Dna-Tagged Sp3-Rich Heterocycles By Snap Chemistry
  作者:Skopic,Mateja Klika; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(6) 页码:1383-1387]
  
  2916395-88-3 = 84358-13-4
  反应条件:1.1 Solvents: 1,2-Dichloroethane,Water; 20 H,25 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 5 Min,25 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:Selective Hydrolysis Of Primary And Secondary Amides Enabled By Visible Light
  作者:Xiong,Wenzhang; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(17) 页码:2948-2952]
  
  91419-48-6 = 84358-13-4
  反应条件:1.1 Reagents: Lawesson'S Reagent Solvents: Tetrahydrofuran; 3 H,Reflux
  标题:Design And Synthesis Of Tri-Ring P3 Benzamide-Containing Aminonitriles As Potent,Selective,Orally Effective Inhibitors Of Cathepsin K
  作者:Palmer,James T.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(24) 页码:7520-7534]
  
  123855-51-6 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,1-Hydroxycyclohexyl Phenyl Ketone Solvents: Dichloromethane,Water; Rt1.2 Solvents: Water; Acidified,Rt
  标题:Oxidation Of Primary Alcohols And Aldehydes To Carboxylic Acids With 1-Hydroxycyclohexyl Phenyl Ketone
  作者:Lu,Yi; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(13) 页码:8114-8122]
  
  137076-22-3 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Bromide,Selectfluor Solvents: Acetonitrile,Water; 20 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]
  
  137076-22-3 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Bromide,Water,Selectfluor Solvents: Acetonitrile; 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]
  
  137076-22-3 = 84358-13-4
  反应条件:1.1 Reagents: Oxygen Solvents: Acetone; 4 H,Rt
  标题:Catalyst- And Additive-Free Sunlight-Induced Autoxidation Of Aldehydes To Carboxylic Acids
  作者:Shi,Hongwei; Et Al
  参考文献:Green Chemistry 日期:2022 卷标:24(15) 页码:5835-5841]
  
  = 84358-13-4 [标题:Reaction Conditions
  标题:Proline-Based Allosteric Inhibitors Of Zika And Dengue Virus Ns2B/ns3 Proteases
  作者:Millies,Benedikt; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2019 卷标:62(24) 页码:11359-11382]
  
  24424-99-5 + 1126-09-6 = 84358-13-4
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 1 H,0 °C1.2 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; Rt; 6 - 7 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:Synthesis Of 3-(3-Piperidyl)Isoquinoline And 3-(4-Piperidyl)Isoquinoline
  作者:Kovalskiy,D. A.; Et Al
  参考文献:Chemistry Of Heterocyclic Compounds (New York 日期:2009 卷标:45(8) 页码:957-964]
  
  24424-99-5 + 1126-09-6 = 84358-13-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 51.3 Reagents: Trimethylamine Solvents: 1,4-Dioxane,Water; 7 H,25 °C
  标题:Targeting Serotonin 2A And Adrenergic α1 Receptors For Ocular Antihypertensive Agents: Discovery Of 3,4-Dihydropyrazino[1,2-B]Indazol-1(2H)-One Derivatives
  作者:Furlotti,Guido; Et Al
  参考文献:Chemmedchem 日期:2018 卷标:13(15) 页码:1597-1607]
  
  142851-03-4 = 84358-13-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 4 H,60 °C; 60 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,Rt
  标题:Intermolecular Cyclotrimerization Of Haloketoalkynes And Internal Alkynes: Facile Access To Arenes And Phthalides
  作者:Silvestri,A. P.; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(87) 页码:13417-13420]
  
  58632-95-4 = 84358-13-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetone,Water; 12 H,Rt
  标题:Highly Water-Soluble Derivatives Of The Anesthetic Agent Propofol: In Vitro And In Vivo Evaluation Of Cyclic Amino Acid Esters
  作者:Altomare,Cosimo; Et Al
  参考文献:European Journal Of Pharmaceutical Sciences 日期:2003 卷标:20(1) 页码:17-26]
  
  58632-95-4 = 84358-13-4
  反应条件:1.1 Catalysts: Triethylamine
  标题:Esters Of Nipecotic And Isonipecotic Acids As Potential Anticonvulsants
  作者:Crider,A. Michael; Et Al
  参考文献:Journal Of Pharmaceutical Sciences 日期:1982 卷标:71(11) 页码:1214-19

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2912110000-甲醛
  2912120000-乙醛
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• ➥ 防范代码详解
• ➥ 危险代码说明
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