CAS: 88495-54-9; (S)-1-(Tert-Butoxycarbonyl)Piperidine-3-Carboxylic Acid

• 英文名称(S)-1-(Tert-Butoxycarbonyl)Piperidine-3-Carboxylic Acid
• 中文名称Boc-(S)-3-甲酸哌啶
• IUPAC名称(S)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
• 其它别名(S)-Piperidine-1,3-Dicarboxylic Acid 1-Tert-Butyl Ester ; (S)-1-Boc-Piperidine-3-Carboxylic Acid, ; (3S)-1-(Tert-Butoxycarbonyl)-3-Piperidinecarboxylic Acid ; Unii-6Sne2M6Tyk ; L-1-Boc-Nipecotic Acid ; Boc-Pic(3)-Oh ; (S)-1-(Tert-Butoxycarbonyl)Piperi
• CAS编号88495-54-9
• MFCD编号:MFCD02179172
• EINECS号:635-832-9
• 分子式:C11H19NO4
• 分子量:229.27
• 产品CID: 1895732
• 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-QMMMGPOBSA-M
• InChI=1S/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)/t8-/m0/s1…
• 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 °C at 760 mmHg
• 闪点167.4 °C
• 密度1.164 g/cm3
• pKa:4.49±0.20(预测)
• PSA:66.84
• LogP:1.7181
• 折射率1.496
• 外观形态白色至类白色固体
• 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于有机化学合成中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别严重眼刺激 类别2
  水生急性毒性 类别1
  水生慢性毒性 类别1
  急性毒性 类别4(经口)
  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2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P273-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xi,N
• 包装等级Ⅲ
• 安全声明26-36-61
• 危险类别码36/37/38-50
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 24424-99-5 + 59045-82-8 = 88495-54-9
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Tetrahydrofuran,Water; Overnight,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Piperidine Scaffold As The Novel P2-Ligands In Cyclopropyl-Containing Hiv-1 Protease Inhibitors: Structure-Based Design,Synthesis,Biological Evaluation And Docking Study
  作者:Zhou,Huiyu; Et Al
  参考文献:Plos One 日期:2020 卷标:15(7)]
  
  24424-99-5 + 88466-74-4 = 88495-54-9
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 2 H
  标题:Preparation Of β2-Amino Acid Derivatives (β2Hthr,β2Htrp,β2Hmet,β2Hpro,β2Hlys,Pyrrolidine-3-Carboxylic Acid) By Using Dioz As Chiral Auxiliary
  作者:Gessier,Francois; Et Al
  参考文献:Helvetica Chimica Acta 日期:2005 卷标:88(8) 页码:2235-2249]
  
  2413063-23-5 = 88495-54-9
  反应条件:1.1 Reagents: Sodium Periodate Catalysts: Ruthenium Trichloride Solvents: Carbon Tetrachloride,Acetonitrile,Water; 3 H,Rt
  标题:Access To 1,3-Dinitriles By Enantioselective Auto-Tandem Catalysis: Merging Allylic Cyanation With Asymmetric Hydrocyanation
  作者:Long,Jinguo; Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(17) 页码:6785-6789]
  
  37675-18-6 = 88495-54-9
  反应条件:1.1 Reagents: Water2.1 Reagents: Sodium Hydroxide Solvents: Tert-Butanol,Water2.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Stereoisomers Of Antithrombotic Nipecotamides
  作者:Zheng,Xiaozhang; Et Al
  参考文献:Chirality 日期:1995 卷标:7(2) 页码:90-5]
  
  24424-99-5 + 3144-16-9 + 59045-82-8 = 88495-54-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; 0 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Catalysis With Phosphine-Containing Amino Acids In Various "Turn" Motifs
  作者:Agarkov,Anton; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(23) 页码:8077-8085]
  
  24424-99-5 + 851956-01-9 = 88495-54-9
  反应条件:1.1 Reagents: Triethylamine Solvents: Methanol; 0 °C; 0 °C -> Rt; 2 D,Rt1.2 Reagents: Hydrochloric Acid Solvents: Dichloromethane,Water; 0 °C; 3 Atm
  标题:Novel Non-Peptide Nociceptin/orphanin Fq Receptor Agonist,1-[1-(1-Methylcyclooctyl)-4-Piperidinyl]-2-[(3R)-3-Piperidinyl]-1H-Benzimidazole: Design,Synthesis,And Structure-Activity Relationship Of Oral Receptor Occupancy In The Brain For Orally Potent Antianxiety Drug
  作者:Hayashi,Shigeo; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(3) 页码:610-625]
  
  24424-99-5 + 59045-82-8 = 88495-54-9
  反应条件:1.1 Reagents: Triethylamine Solvents: Methanol; 0 °C; 0 °C -> Rt; 23 H,Rt1.2 Solvents: Water; Rt -> 0 °C1.3 Reagents: Potassium Bisulfate Solvents: Water; Ph 2,0 °C
  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]
  
  191599-51-6 = 88495-54-9
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Water
  标题:Preparation Of β-Amino Acids And Synthesis Of β-Peptides With Novel Secondary Structures
  作者:Abele,Stefan
  参考文献:1999]
  
  24424-99-5 + 2413062-91-4 = 88495-54-9
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Diethyl Ether,Hexane; 0.5 H,-40 °C1.2 Reagents: Sodium Borohydride Solvents: Ethanol; 0 °C; 0 °C -> Rt; Overnight,Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt2.1 Reagents: Sodium Periodate Catalysts: Ruthenium Trichloride Solvents: Carbon Tetrachloride,Acetonitrile,Water; 3 H,Rt
  标题:Access To 1,3-Dinitriles By Enantioselective Auto-Tandem Catalysis: Merging Allylic Cyanation With Asymmetric Hydrocyanation
  作者:Long,Jinguo; Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(17) 页码:6785-6789]
  
  24424-99-5 + 37675-18-6 = 88495-54-9
  反应条件:1.1 Solvents: Dichloromethane2.1 Reagents: Lithium Hydroxide Solvents: Methanol,Water
  标题:Preparation Of β-Amino Acids And Synthesis Of β-Peptides With Novel Secondary Structures
  作者:Abele,Stefan
  参考文献:1999]
  
  498-95-3 + 3144-16-9 = 88495-54-9
  反应条件:1.1 Solvents: Acetone; Reflux1.2 Solvents: Water; Overnight,Rt2.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; 0 °C -> Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Catalysis With Phosphine-Containing Amino Acids In Various "Turn" Motifs
  作者:Agarkov,Anton; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(23) 页码:8077-8085]
  
  868632-22-8 = 88495-54-9
  反应条件:1.1 Reagents: Lithium Hydroxide,Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; 4 H,0 °C2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 2 H
  标题:Preparation Of β2-Amino Acid Derivatives (β2Hthr,β2Htrp,β2Hmet,β2Hpro,β2Hlys,Pyrrolidine-3-Carboxylic Acid) By Using Dioz As Chiral Auxiliary
  作者:Gessier,Francois; Et Al
  参考文献:Helvetica Chimica Acta 日期:2005 卷标:88(8) 页码:2235-2249]
  
  132696-24-3 = 88495-54-9
  反应条件:1.1 Catalysts: Bis(1,5-Cyclooctadiene)Nickel,(3Ar,8Ar)-4,4,8,8-Tetrakis(3,5-Dimethylphenyl)-6-[2-(Diphenylphosphino)-6-(1-Met... Solvents: Toluene; 1 Min,Rt1.2 10 H,80 °C2.1 Reagents: Diisobutylaluminum Hydride Solvents: Diethyl Ether,Hexane; 0.5 H,-40 °C2.2 Reagents: Sodium Borohydride Solvents: Ethanol; 0 °C; 0 °C -> Rt; Overnight,Rt2.3 Reagents: Ammonium Chloride Solvents: Water; Rt3.1 Reagents: Sodium Periodate Catalysts: Ruthenium Trichloride Solvents: Carbon Tetrachloride,Acetonitrile,Water; 3 H,Rt
  标题:Access To 1,3-Dinitriles By Enantioselective Auto-Tandem Catalysis: Merging Allylic Cyanation With Asymmetric Hydrocyanation
  作者:Long,Jinguo; Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(17) 页码:6785-6789

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2912110000-甲醛
  2912120000-乙醛
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管