CAS: 845267-78-9; Tert-Butyl 2,4-Dioxopiperidine-1-Carboxylate

• 英文名称Tert-Butyl 2,4-Dioxopiperidine-1-Carboxylate
• 中文名称2,4-二哌啶酮-1-甲酸叔丁酯
• IUPAC名称tert-butyl 2,4-dioxopiperidine-1-carboxylate
• 其它别名1-Boc-哌啶-2,4-二酮; 1-Boc-Piperidine-2,4-Dione
• CAS编号845267-78-9
• MFCD编号:MFCD10566071
• EINECS号:825-755-0
• 分子式:C10H15NO4
• 分子量:213.23
• 产品CID: 1833964
• 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: SLCAHLSQXDNQSF-UHFFFAOYSA-N
• InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点111-112 °C
• 沸点373.8°C at 760 mmHg
• 闪点179.9±25.9 °C
• 密度1.2±0.1 g/cm3
• pKa:10.67±0.20(预测)
• PSA:63.68
• LogP:1.113
• 折射率1.494
• 蒸汽压0.0±0.8 mmHg at 25°C
• 外观形态黄色粉末
• 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于合成五氧基甲基二氢二羟丁二烯丙烯二烯衍生物,作为五代代代谢性谷质素(MGLU5)受体选择性阳性配角调节器.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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
• 安全声明23-24/25
• 危险类别码20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 865364-92-7 = 845267-78-9
  反应条件:1.1 Solvents: Ethyl Acetate; 2.5 H,120 °C
  标题:Structure-Activity Relationships And Structure-Kinetic Relationships Of Pyrrolopiperidinone Acetic Acids As Crth2 Antagonists
  作者:Andres,Miriam; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(21) 页码:5111-5117]
  
  865364-92-7 = 845267-78-9
  反应条件:1.1 Solvents: Ethyl Acetate; 2 H,Reflux
  标题:Synthesis And Characterization Of 10-Substitutedaryl-3,4,6,7,8,10-Hexahydropyrido[4,3-B][1,6] Naphthyridine-1,9 (2H,5H)-Dione
  作者:Ye,Rong-Hua; Et Al
  参考文献:Hubei Daxue Xuebao 日期:2009 卷标:31(3) 页码:276-280]
  
  24424-99-5 + 107-95-9 = 845267-78-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran; 0 °C; 30 Min,Rt2.1 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 12 H,Rt2.2 Solvents: Ethyl Acetate; 4 H,Reflux
  标题:Heterocycle-To-Heterocycle Route To Quinoline-4-Amines: Reductive Heterocyclization Of 3-(2-Nitrophenyl)Isoxazoles
  作者:Coffman,Keith C.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(34) 页码:7651-7657]
  
  1052689-42-5 = 845267-78-9
  反应条件:1.1 Solvents: Ethyl Acetate; 3 H,Reflux
  标题:Orthogonally Protected Thiazole And Isoxazole Diamino Acids: An Efficient Synthetic Route
  作者:Butler,Jeffrey D.; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(30) 页码:9002-9005]
  
  1052689-42-5 = 845267-78-9
  反应条件:1.1 Solvents: Ethyl Acetate; 2.5 H,120 °C; Cooled
  标题:A Modular Synthesis Of Novel 4-Amino-7,8-Dihydro-1,6-Naphthyridin-5(6H)-Ones As Pde4 Inhibitors
  作者:Ferrer,Manel; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(36) 页码:4821-4825]
  
  2033-24-1 + 3303-84-2 = 845267-78-9
  反应条件:1.1 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 12 H,Rt1.2 Solvents: Ethyl Acetate; 4 H,Reflux
  标题:Heterocycle-To-Heterocycle Route To Quinoline-4-Amines: Reductive Heterocyclization Of 3-(2-Nitrophenyl)Isoxazoles
  作者:Coffman,Keith C.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(34) 页码:7651-7657]
  
  2033-24-1 + 3303-84-2 = 845267-78-9
  反应条件:1.1 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 15 Min,Rt; 4 H,Rt1.2 Solvents: Ethyl Acetate; 4 H,Reflux
  标题:Isoxazolodihydropyridinones: 1,3-Dipolar Cycloaddition Of Nitrile Oxides Onto 2,4-Dioxopiperidines
  作者:Coffman,Keith C.; Et Al
  参考文献:Acs Combinatorial Science 日期:2012 卷标:14(4) 页码:280-284]
  
  24424-99-5 + 107-95-9 = 845267-78-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 0 °C; Overnight,Rt2.1 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 15 Min,Rt; 4 H,Rt2.2 Solvents: Ethyl Acetate; 4 H,Reflux
  标题:Isoxazolodihydropyridinones: 1,3-Dipolar Cycloaddition Of Nitrile Oxides Onto 2,4-Dioxopiperidines
  作者:Coffman,Keith C.; Et Al
  参考文献:Acs Combinatorial Science 日期:2012 卷标:14(4) 页码:280-284

海关参考信息

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