CAS: 84358-12-3; 1-(Tert-Butoxycarbonyl)Piperidine-3-Carboxylic Acid

• 英文名称1-(Tert-Butoxycarbonyl)Piperidine-3-Carboxylic Acid
• 中文名称1-(叔丁氧基羰基)-3-哌啶甲酸
• IUPAC名称1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
• 其它别名1-(叔丁氧羰基)-3-哌啶甲酸; 1-Boc-Piperidine-3-Carboxylic Acid
• CAS编号84358-12-3
• MFCD编号:MFCD00673775
• EINECS号:629-172-0
• 分子式:C11H19NO4
• 分子量:229.27
• 产品CID: 1832002
• 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: NXILIHONWRXHFA-UHFFFAOYSA-N
• InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(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159-162°C
• 沸点353.2±35.0 °C at 760 mmHg
• 闪点167.4±25.9 °C
• 密度1.2±0.1 g/cm3
• pKa:4.49±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
• 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

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
  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.
• 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26-36
• 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

• 498-95-3 + 58632-95-4 = 84358-12-3
  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]
  
  24424-99-5 = 84358-12-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Methanol; 0 °C -> Rt; 17 H,Rt1.2 Reagents: Potassium Bisulfate Solvents: Dichloromethane,Water; Ph 2
  标题:Optimization Of Small Molecules That Sensitize Hiv-1 Infected Cells To Antibody-Dependent Cellular Cytotoxicity
  作者:Grenier,Melissa C.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2020 卷标:11(3) 页码:371-378]
  
  498-95-3 + 24424-99-5 = 84358-12-3 [标题:Reaction Conditions
  标题:Quinoxalinylurea Derivatives As A Novel Class Of Jsp-1 Inhibitors
  作者:Zhang,Li; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(8) 页码:2118-2122]
  
  498-95-3 + 24424-99-5 = 84358-12-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Methanol; 0 °C; 0 °C -> Rt; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Dichloromethane,Water; Ph 3,Rt
  标题:Introduction Of Cyclopropyl And Cyclobutyl Ring On Alkyl Iodides Through Cobalt-Catalyzed Cross-Coupling
  作者:Andersen,Claire; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(7) 页码:2285-2289]
  
  24424-99-5 + 5006-62-2 = 84358-12-3
  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]
  
  498-95-3 + 58632-95-4 = 84358-12-3
  反应条件:1.1 Reagents: Triethylamine Solvents: 1,4-Dioxane,Water; Rt
  标题:Constrained Analogues Of Tocainide As Potent Skeletal Muscle Sodium Channel Blockers Towards The Development Of Antimyotonic Agents
  作者:Catalano,Alessia; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2008 卷标:43(11) 页码:2535-2540]
  
  24424-99-5 + 59-67-6 = 84358-12-3
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Platinum Dioxide Solvents: Water; 4 D,4 Bar,Rt1.2 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane; 16 H,Rt
  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

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2912110000-甲醛
  2912120000-乙醛
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