CAS: 78888-18-3; Tert-Butyl Allylcarbamate

• 英文名称Tert-Butyl Allylcarbamate
• 中文名称叔丁氧基 N-氨基甲酸丙烯
• IUPAC名称tert-butyl allylcarbamate
• 其它别名N-烯丙基氨基甲酸叔丁酯; N烯丙基氨基甲酸叔丁酯; Tert-Butyl Prop-2-En-1-Ylcarbamate
• CAS编号78888-18-3
• MFCD编号:MFCD00191870
• EINECS号:693-046-1
• 分子式:C8H15NO2
• 分子量:157.21
• 产品CID: 1782984
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: AWARHXCROCWEAK-UHFFFAOYSA-N
• InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

相似化合物

物理性质

• 熔点36-38°C
• 沸点48-50 °C at 1 mmHg
• 闪点79°C
• 密度0.938 g/mL at 25 °C (文献)
• pKa:12.60±0.46(预测)
• PSA:38.33
• LogP:1.6971
• 折射率1.4720 (估算)
• 蒸汽压0.128 mmHg at 25 °C
• 溶解性Insoluble In Water. Soluble In Methanol.
• 外观形态无色低熔点固体
• 储存条件惰性气氛,室温
• 产品应用该化合物用作有机合成中间体和制药中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 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P264-P270-P330-P501
• 危险等级IRRITANT
• UN编号UN 1325 4.1/PG 2
• 危险品标志Xi,Xn
• 安全声明22-26-36/37/39
• 危险类别码22-36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 24424-99-5 = 78888-18-3
  反应条件:1.1 Solvents: Dichloromethane; Rt; Overnight,Rt
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  参考文献:Angewandte Chemie 日期:2014 卷标:53(41) 页码:11075-11078]
  
  24424-99-5 = 78888-18-3
  反应条件:1.1 Solvents: Tetrahydrofuran; 4 H,Rt
  标题:A Facile Method For The Stereoselective Preparation Of (1E,3E)-4-Substituted-1-Amino-1,3-Dienes Via 1,4-Elimination
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  参考文献:Tetrahedron Letters 日期:2007 卷标:48(35) 页码:6163-6166]
  
  24424-99-5 = 78888-18-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C; 0 °C; Overnight,0 °C
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  参考文献:Maejo International Journal Of Science And Technology 日期:2012 卷标:6(3) 页码:372-378]
  
  24424-99-5 = 78888-18-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane
  标题:Enantioselective Synthesis Of β-Hydroxy Amines And Aziridines Using Asymmetric Transfer Hydrogenation Of α-Amino Ketones
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  参考文献:Journal Of The Chemical Society 日期:2001 卷标:(16) 页码:1916-1928]
  
  24424-99-5 = 78888-18-3
  反应条件:1.1 10 Min,80 °C
  标题:Efficient And Expeditious Chemoselective Boc Protection Of Amines In Catalyst And Solvent-Free Media
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  24424-99-5 = 78888-18-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 30 Min,0 °C; Overnight,0 °C -> Rt1.2 Reagents: Water
  标题:Enantioselective And Regiodivergent Functionalization Of N-Allylcarbamates By Mechanistically Divergent Multicatalysis
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  24424-99-5 = 78888-18-3
  反应条件:1.1 Solvents: Dichloromethane1.2 -1.3 Solvents: Dichloromethane
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  24424-99-5 = 78888-18-3
  反应条件:1.1 Solvents: Choline Chloride; 5 Min,80 °C
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  参考文献:Green Chemistry 日期:2023 卷标:25(8) 页码:3208-3213]
  
  24424-99-5 = 78888-18-3
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  24424-99-5 = 78888-18-3
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  24424-99-5 = 78888-18-3
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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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