CAS: 85275-45-2; Tert-Butyl 3-Hydroxypiperidine-1-Carboxylate

• 英文名称Tert-Butyl 3-Hydroxypiperidine-1-Carboxylate
• 中文名称N-Boc-3-哌啶醇
• IUPAC名称tert-butyl 3-hydroxypiperidine-1-carboxylate
• 其它别名1-N-Boc-3-羟基哌啶; 1叔丁氧羰基3哌啶醇; Tert-Butyl 3-Hydroxy-1-Piperidinecarboxylate; 1-Boc-3-Hydroxypiperidine
• CAS编号85275-45-2
• MFCD编号:MFCD02093938
• EINECS号:628-428-9
• FDA UNII编号:VZK3X8HTC8
• 分子式:C10H19NO3
• 分子量:201.26
• 产品CID: 1848222
• 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: UIJXHKXIOCDSEB-UHFFFAOYSA-N
• InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点65-67°C
• 沸点292.3±33.0 °C at 760 mmHg
• 闪点130.6±25.4 °C
• 密度1.1±0.1 g/cm3
• pKa:14.74±0.20(预测)
• PSA:49.77
• LogP:1.3782
• 折射率1.496
• 蒸汽压0.0±1.4 mmHg at 25°C
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色至几乎白色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作实验室研发和化学生产过程.

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
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36-36/37/39
• 危险类别码36/37/38-20/21/22
• 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 1-Boc-3-Hydroxypiperidine 主要起始原料 3-Hydroxypiperidine And Di-Tert-Butyl Dicarbonate
• 24424-99-5 + 6859-99-0 = 85275-45-2
  反应条件:1.1 Reagents: Triethylamine,Sodium Bicarbonate Solvents: Dichloromethane; Overnight,20 °C
  标题:New Ligands With Affinity For The α4β2 Subtype Of Nicotinic Acetylcholine Receptors. Synthesis,Receptor Binding,And 3D-Qsar Modeling
  作者:Audouze,Karine; Oestergaard Nielsen,Elsebet; Olsen,Gunnar M.; Ahring,Philip; Jorgensen,Tino Dyhring; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2006 卷标:49(11) 页码:3159-3171]
  
  24424-99-5 + 6859-99-0 = 85275-45-2
  反应条件:1.1 Solvents: Dichloromethane; Rt -> 0 °C1.2 Reagents: Triethylamine; 0 °C1.3 1 H,0 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; 0 °C -> Rt
  标题:Exploration Of A New Type Of Antimalarial Compounds Based On Febrifugine
  作者:Kikuchi,Haruhisa; Yamamoto,Keisuke; Horoiwa,Seiko; Hirai,Shingo; Kasahara,Ryota; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2006 卷标:49(15) 页码:4698-4706]
  
  24424-99-5 + 6859-99-0 = 85275-45-2
  反应条件:1.1 Solvents: Chloroform
  标题:Determination Of The Gauche Effect Of 3-Acetamido- And 3-Acetoxypiperidine And -Tetrahydropyran By Proton Nmr Spectroscopy
  作者:Bernet,Bruno; Piantini,Umberto; Vasella,Andrea
  参考文献:Carbohydrate Research 日期:1990 卷标:204 页码:11-25]
  
  24424-99-5 + 6859-99-0 = 85275-45-2 [标题:Reaction Conditions
  标题:Synthesis And Biological Evaluation Of Conformationally Restricted 2-(1-Pyrrolidinyl)-N-[2-(3,4-Dichlorophenyl)Ethyl]-N-Methylethylenediamines As σ Receptor Ligands. 1. Pyrrolidine,Piperidine,Homopiperidine,And Tetrahydroisoquinoline Classes
  作者:De Costa,Brian R.; Dominguez,Celia; He,Xiao Shu; Williams,Wanda; Radesca,Lilian; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1992 卷标:35(23) 页码:4334-43]
  
  24424-99-5 + 6859-99-0 = 85275-45-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Water; 4 H,Rt
  标题:A Chemo-Enzyme Method To Synthesis Of (S)-T-Butyl 3-Hydroxypiperidine-1-Carboxylate
  作者:Zhu,Wei; Wang,Bo; Wu,Hui; Li,Binghao
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(4) 页码:349-350]
  
  6859-99-0 = 85275-45-2
  反应条件:1.1 Reagents: Oxygen Catalysts: Cuprous Iodide,Gold Trichloride; 0.1 Mpa,Rt; 24 H,0.4 Mpa,Rt
  标题:Sustainable Route Toward N-Boc Amines: Aucl3/cui-Catalyzed N-Tert-Butyloxycarbonylation Of Amines At Room Temperature
  作者:Cao,Yanwei; Huang,Yang; He,Lin
  参考文献:Chemsuschem 日期:2022 卷标:15(4)]
  
  24424-99-5 + 6859-99-0 = 85275-45-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Ethanol,Water; Rt; 4.5 H,Rt
  标题:The Synthesis Of Piperidine Nucleoside Analogs-A Comparison Of Several Methods To Access The Introduction Of Nucleobases
  作者:Kovackova,Sona; Dracinsky,Martin; Rejman,Dominik
  参考文献:Tetrahedron 日期:2011 卷标:67(7) 页码:1485-1500]
  
  24424-99-5 + 64051-79-2 = 85275-45-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Tetrahydrofuran; 14 H
  标题:Discovery Of N-Propylurea 3-Benzylpiperidines As Selective Cc Chemokine Receptor-3 (Ccr3) Antagonists
  作者:Varnes,Jeffrey G.; Gardner,Daniel S.; Santella,Joseph B.; Duncia,John V.; Estrella,Melissa; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2004 卷标:14(7) 页码:1645-1649

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2912110000-甲醛
  2915110000-甲酸
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