CAS: 870-46-2; Tert-Butyl Carbazate

• 英文名称Tert-Butyl Carbazate
• 中文名称叔丁氧羰基肼
• IUPAC名称tert-butyl hydrazinecarboxylate
• 其它别名1-Boc Hydrazine(Boc-Nhnh2); Carbazi Acid Tert-Butyl Ester; Monoboc-Hydrazine; N-[(T-Butyloxy)Carbonyl]Hydrazine; Tert-Butyl Carbazate; Iert-Butyl Carbazate; Teri-Butyl Carbazate; Hydrazinecarboxylic Acid Tert-Butylester; Stk0
• CAS编号870-46-2
• MFCD编号:MFCD00007593
• EINECS号:212-795-3
• FDA UNII编号:DZ6ERH52CN
• 分子式:C5H12N2O2
• 分子量:132.16
• 产品CID: 1874956
• 产品分类有机原料→通用试剂→保护和衍生化试剂→Boc系列

• 相似结构搜索
• InChIKey: DKACXUFSLUYRFU-UHFFFAOYSA-N
• InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)…
• 计算化学: 氢键受体数3.0氢键供体数2可旋转键数0

相似化合物

物理性质

• 熔点39-42°C
• 沸点303.6°C at 760 mmHg
• 闪点92°C
• 密度1.0±0.1 g/cm3
• pKa:10.74±0.20(预测)
• PSA:64.35
• LogP:0.3848
• 折射率1.449
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Soluble In Ethanol And Methanol.
• 敏感性易受潮
• 外观形态白色至微黄色结晶块状物
• 储存条件请置于阴暗处, 惰性气氛中,冷冻保存, 低于 -20°C
• 产品应用该化合物用于制作BOC-AZIDE,磺酰和碳箱状氢化物的起始材料.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02;
  注释: Flame
• 危险类别易燃固体 类别1
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  易燃固体 类别2
  急性毒性 类别3(经口)
  急性毒性 类别3(经皮)
  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Danger(危险)
• 危险描述H228 |易燃固体.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H301 |吞咽会中毒.
  H311 |皮肤接触会中毒.
  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P210-P240-P241-P280-P370+P378
• 危险等级4.1
• UN编号1325.0
• 危险品标志T-F,T,F
• 包装等级Ⅱ
• 安全声明45-36/37/39-16-24/25
• 危险类别码48-36/37/38-24/25-11
• 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 Tert-Butyl Carbazate 主要起始原料 Di-Tert-Butyl Dicarbonate
• 6627-89-0 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine
  标题:Tert-Butyl Carbazate
  作者:Carpino,Louis A.; Et Al
  参考文献:Organic Syntheses 日期:1964 卷标:44 页码:20-5]
  
  6627-89-0 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Water; 80 °C -> 100 °C; 1 H,100 °C1.2 Solvents: Chloroform; 3 H1.3 Reagents: Sodium Hydroxide Solvents: Water; 25 - 30 °C
  标题:Study On Tert-Butyl Carbazate Synthesis
  作者:Xu,Dongchao; Et Al
  参考文献:Huagong Jinzhan 日期:2011 卷标:30(11) 页码:2528-2531]
  
  = 870-46-2
  反应条件:1.1 Reagents: Chlorotrimethylsilane,Misch Metal Solvents: Tetrahydrofuran; 20 - 30 Min,Reflux1.2 2 H,Reflux1.3 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized
  标题:A Selective Method For Cleavage Of N-Troc-Protected Hydrazines And Amines Under Mild Conditions Using Mischmetal And Tmscl
  作者:Vellemae,Eerold; Et Al
  参考文献:Journal Of Chemical Research 日期:2006 卷标:(11) 页码:685-687]
  
  24424-99-5 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Solvents: Dichloromethane
  标题:Syntheses And Antitumor Activities Of N'1,N'3-Dialkyl-N'1,N'3-Di-(Alkylcarbonothioyl) Malonohydrazide: The Discovery Of Elesclomol
  作者:Chen,Shoujun; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2013 卷标:23(18) 页码:5070-5076]
  
  34619-03-9 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Solvents: Isopropanol; 0 °C; 2 H,0 °C
  标题:Mimicking A Proline Tripeptide With Pyrazolidines And A Cyclopentane Linker
  作者:Vertesaljai,Peter; Et Al
  参考文献:Tetrahedron Letters 日期:2015 卷标:56(48) 页码:6653-6655]
  
  = 870-46-2
  反应条件:1.1 Reagents: Pyridine Solvents: Chloroform; 1 H,28 - 31 °C; 3 H1.2 Reagents: Water2.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Water; 80 °C -> 100 °C; 1 H,100 °C2.2 Solvents: Chloroform; 3 H2.3 Reagents: Sodium Hydroxide Solvents: Water; 25 - 30 °C
  标题:Study On Tert-Butyl Carbazate Synthesis
  作者:Xu,Dongchao; Et Al
  参考文献:Huagong Jinzhan 日期:2011 卷标:30(11) 页码:2528-2531]
  
  34387-89-8 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Solvents: Water; Rt
  标题:N-Aminophthalimide
  作者:Krasnova,Larissa B.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2004 卷标:1 页码:1-5]
  
  16689-34-2 = 870-46-2 [标题:Reaction Conditions
  标题:Product Class 7: Hydrazines And Hydrazinium Salts
  作者:Rademacher,P.
  参考文献:Science Of Synthesis 日期:2009 卷标:40 页码:1133-1210]
  
  1875-48-5 + 1538-75-6 = 870-46-2
  反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; Rt2.1 Reagents: Hydrazine Solvents: Water; Rt
  标题:N-Aminophthalimide
  作者:Krasnova,Larissa B.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2004 卷标:1 页码:1-5]
  
  6627-89-0 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine
  标题:Synthesis Of A Non-Symmetric Azodicarbonyl Compound And Its Regioselective Reaction With Organometallic Reagents
  作者:Yamamoto,Yoshinori; Et Al
  参考文献:Tetrahedron Letters 日期:1991 卷标:32(26) 页码:3079-82]
  
  24424-99-5 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: 1,4-Dioxane; 0 °C; 12 H,Rt
  标题:Discovery Of Potent Inhibitors Of Human β-Tryptase From Pre-Equilibrated Dynamic Combinatorial Libraries
  作者:Jiang,Qian-Qian; Et Al
  参考文献:Chemical Science 日期:2015 卷标:6(3) 页码:1792-1800]
  
  51300-90-4 = 870-46-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; 4 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrazine Hydrate (1:1) Solvents: Water; 30 Min,Reflux
  标题:Designing And Exploring Active N'-[(5-Nitrofuran-2-Yl)Methylene] Substituted Hydrazides Against Three Trypanosoma Cruzi Strains More Prevalent In Chagas Disease Patients
  作者:Palace-Berl,Fanny; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2015 卷标:96 页码:330-339]
  
  49761-82-2 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine
  标题:Tert-Butyloxycarbonylimidazole And Tert-Butyloxycarbonylhydrazine
  作者:Klee,W.; Et Al
  参考文献:Helvetica Chimica Acta 日期:1950 卷标:44 页码:2151-3]
  
  29518-83-0 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine
  标题:Tert-Butyl Carbazate
  作者:Carpino,Louis A.; Et Al
  参考文献:Organic Syntheses 日期:1964 卷标:44 页码:20-5]
  
  = 870-46-2
  反应条件:1.1 Reagents: Pyridine Solvents: Dichloromethane; Rt -> 0 °C1.2 Solvents: Dichloromethane; 0 °C -> Rt; Overnight,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water2.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Ethanol; 1 H,80 °C2.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Fluoroamide-Driven Intermolecular Hydrogen-Atom-Transfer-Enabled Intermolecular 1,2-Alkylarylation Of Alkenes
  作者:Cheng,Chaozhihui; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2023 卷标:10(4) 页码:943-950]
  
  24608-52-4 = 870-46-2
  反应条件:1.1 Catalysts: Hydrazine Solvents: Diethyl Ether; -60 °C
  标题:T-Butyl Chloroformate
  作者:Sennyey,G.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  16331-65-0 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Solvents: Diethyl Ether,Tert-Butanol
  标题:A New Convenient Method For The Synthesis Of Tert-Butyloxy-Carbonylhydrazine
  作者:Ovchinnikov,Yu. A.; Et Al
  参考文献:Experientia 日期:1965 卷标:21(7) 页码:418-19]
  
  24424-99-5 = 870-46-2
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Isopropanol; 2 H,0 °C; Overnight,Rt
  标题:A Novel Poly(L-Glutamic Acid) Dendrimer Based Drug Delivery System With Both Ph-Sensitive And Targeting Functions
  作者:Yuan,Hui; Et Al
  参考文献:Molecular Pharmaceutics 日期:2010 卷标:7(4) 页码:953-962]
  
  34387-89-8 = 870-46-2
  反应条件:1.1 Catalysts: Hydrazine Solvents: Water; 22 °C
  标题:N-Aminophthalimide
  作者:Krasnova,Larissa B.; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  561067-10-5 = 870-46-2 [标题:Reaction Conditions
  标题:Product Class 7: Hydrazines And Hydrazinium Salts
  作者:Rademacher,P.
  参考文献:Science Of Synthesis 日期:2009 卷标:40 页码:1133-1210

海关参考信息

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