CAS: 83056-79-5; (S)-Tert-Butyl 1-Methyl-2-Oxoimidazolidine-4-Carboxylate

• 英文名称(S)-Tert-Butyl 1-Methyl-2-Oxoimidazolidine-4-Carboxylate
• 中文名称(4S)-1-甲基-2-氧代咪唑啉-4-甲酸叔丁酯
• IUPAC名称tert-butyl (S)-1-methyl-2-oxoimidazolidine-4-carboxylate
• 其它别名(S)-1-甲基-2-氧代咪唑烷-4-甲酸叔丁酯; Tert-Butyl (4S)-1-Methyl-2-Oxoimidazolidine-4-Carboxylate
• CAS编号83056-79-5
• MFCD编号:MFCD09952527
• EINECS号:806-448-0
• 分子式:C9H16N2O3
• 分子量:200.24
• 产品CID: 1820028
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→咪唑烷类化合物

• 相似结构搜索
• InChIKey: JHSLVEQWBDYFQN-LURJTMIESA-N
• InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/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

• 沸点347.4°C at 760 mmHg
• 闪点163.9±24.8 °C
• 密度1.1±0.1 g/cm3
• pKa:12.43±0.40(预测)
• PSA:58.64
• LogP:0.3517
• 折射率1.474
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• 外观形态类白色固体
• 储存条件密封, 常温干燥保存

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2
• 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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

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(4S)-1-Methyl-2-Oxoimidazolidine-4-Carboxylate 主要起始原料 (S)-2-Oxo-Imidazolidine-1,5-Dicarboxylic Acid 1-Benzyl Ester 5-Tert-Butyl Ester
• 77999-24-7 = 83056-79-5 [标题:Reaction Conditions
  标题:2-Oxoimidazolidine Derivative And A Pharmaceutical Composition Containing It
  参考文献:European Patent Organization]
  
  59760-01-9 = 83056-79-5
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Chloroform,Pyridine2.1 Reagents: Potassium Carbonate Solvents: Acetone3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
  标题:Studies On Angiotensin Converting Enzyme Inhibitors. 4. Synthesis And Angiotensin Converting Enzyme Inhibitory Activities Of 3-Acyl-1-Alkyl-2-Oxoimidazolidine-4-Carboxylic Acid Derivatives
  作者:Hayashi,Kimiaki; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1989 卷标:32(2) 页码:289-97]
  
  83056-78-4 = 83056-79-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
  标题:Studies On Angiotensin Converting Enzyme Inhibitors. 4. Synthesis And Angiotensin Converting Enzyme Inhibitory Activities Of 3-Acyl-1-Alkyl-2-Oxoimidazolidine-4-Carboxylic Acid Derivatives
  作者:Hayashi,Kimiaki; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1989 卷标:32(2) 页码:289-97]
  
  77999-24-7 = 83056-79-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
  标题:Studies On Angiotensin Converting Enzyme Inhibitors. 4. Synthesis And Angiotensin Converting Enzyme Inhibitory Activities Of 3-Acyl-1-Alkyl-2-Oxoimidazolidine-4-Carboxylic Acid Derivatives
  作者:Hayashi,Kimiaki; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1989 卷标:32(2) 页码:289-97]
  
  77999-24-7 = 83056-79-5 [标题:Reaction Conditions
  标题:2-Oxoimidazolidine Compounds
  参考文献:European Patent Organization

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2909110000-乙醚
  2912110000-甲醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管