CAS: 88950-64-5; 1-(Boc-Amino)Cyclopropanecarboxylic Acid

• 英文名称1-(Boc-Amino)Cyclopropanecarboxylic Acid
• 中文名称Boc-1-氨基环丙基甲酸
• IUPAC名称1-((tert-butoxycarbonyl)amino)cyclopropane-1-carboxylic acid
• 其它别名1-(叔丁氧羰基氨基)环丙烷甲酸; 1叔丁氧羰基氨基环丙烷甲酸; Boc-1-Amino-1-Cyclopropanecarboxylic Acid
• CAS编号88950-64-5
• MFCD编号:MFCD00083257
• EINECS号:618-224-8
• 分子式:C9H15NO4
• 分子量:201.22
• 产品CID: 1909744
• 产品分类有机原料→生命科学→氨基酸及其衍生物→丙氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: DSKCOVBHIFAJRI-UHFFFAOYSA-N
• InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点178°C
• 沸点347.6°C at 760 mmHg
• 闪点164.0±22.1 °C
• 密度1.2±0.1 g/cm3
• pKa:4.04±0.20(预测)
• PSA:75.63
• LogP:1.1283
• 折射率1.502
• 蒸汽压0.0±1.6 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 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乙酸醚,氨基氨基甲酸酯和酯类衍生物作为潜在的抗烟素剂.

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
  急性毒性 类别4(经口)
  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.
  H302 |吞咽有害.
• 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,Xn,O
• 安全声明26-36-36/37/39-22
• 危险类别码36/37/38-22
• 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-Amino)Cyclopropanecarboxylic Acid 主要起始原料 Di-Tert-Butyl Dicarbonate And 1-Aminocyclopropanecarboxylic Acid
• 107017-73-2 = 88950-64-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Tert-Butanol,Water
  标题:New Syntheses Of Cyclopropylaminocarboxylic Acids - Preparation Of 3',4'-Methano-Analogues Of The Antibiotic Tan-1057 A/b
  作者:Kordes,Markus
  参考文献:1999]
  
  107017-73-2 = 88950-64-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Tert-Butanol,Water; 2 H,Rt1.2 Reagents: Hydrochloric Acid,Sodium Sulfite Solvents: Water; < Ph 2
  标题:Titanium-Catalyzed Cyclopropanation Of Boc-Protected Cyanohydrins: A Short Access To Aminocyclopropanecarboxylic Acid Derivatives
  作者:Pearson-Long,Morwenna S. M.; Beauseigneur,Alice; Karoyan,Philippe; Szymonial,Jan; Bertus,Philippe
  参考文献:Synthesis 日期:2010 卷标:(20) 页码:3410-3414]
  
  107017-73-2 = 88950-64-5
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1)
  标题:Studies On The Titanium-Catalyzed Cyclopropanation Of Nitriles
  作者:Laroche,Christophe; Harakat,Dominique; Bertus,Philippe; Szymoniak,Jan
  参考文献:Organic & Biomolecular Chemistry 日期:2005 卷标:3(19) 页码:3482-3487]
  
  22059-21-8 + 58632-95-4 = 88950-64-5
  反应条件:1.1 Reagents: Triethylamine Solvents: 1,4-Dioxane,Water
  标题:Reaction Of Cyclopropanamines With Hypochlorite
  作者:Vaidyanathan,Ganesan; Wilson,Joseph W.
  参考文献:Journal Of Organic Chemistry 日期:1989 卷标:54(8) 页码:1815-20]
  
  24424-99-5 + 827628-66-0 = 88950-64-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Methanol1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Convenient Synthesis And Isolation Of 1-Aminocyclopropane-1-Carboxylic Acid (Acc) And N-Protected Acc Derivatives
  作者:Allwein,Shawn P.; Secord,Elizabeth A.; Martins,Andrew; Mitten,Jeffrey V.; Nelson,Todd D.; Et Al
  参考文献:Synlett 日期:2004 卷标:(14) 页码:2489-2492]
  
  24424-99-5 + 22059-21-8 = 88950-64-5
  反应条件:1.1 Reagents: Tetramethylammonium Hydroxide Solvents: Acetonitrile
  标题:An Efficient And High Yield Method For The N-Tert-Butoxycarbonyl Protection Of Sterically Hindered Amino Acids
  作者:Khalil,Ehab M.; Subasinghe,Nalin L.; Johnson,Rodney L.
  参考文献:Tetrahedron Letters 日期:1996 卷标:37(20) 页码:3441-3444]
  
  107259-05-2 = 88950-64-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Water Solvents: Ethanol
  标题:A Convenient And Efficient Synthesis Of 1-Aminocyclopropanecarboxylic Acid (Acc)
  作者:Wheeler,Thomas N.; Ray,John A.
  参考文献:Synthetic Communications 日期:1988 卷标:18(2) 页码:141-9]
  
  107017-73-2 = 88950-64-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Tert-Butanol,Water
  标题:Ti(Ii)-Mediated Conversion Of α-Heterosubstituted (O,N,S) Nitriles To Functionalized Cyclopropylamines. Effect Of Chelation On The Cyclopropanation Step
  作者:Bertus,Philippe; Szymoniak,Jan
  参考文献:Journal Of Organic Chemistry 日期:2002 卷标:67(11) 页码:3965-3968]
  
  24424-99-5 + 22059-21-8 = 88950-64-5 [标题:Reaction Conditions
  标题:Linear Oligopeptides. Part 200. Crystallographic Characterization Of Conformation Of 1-Aminocyclopropane-1-Carboxylic Acid Residue (Ac3C) In Simple Derivatives And Peptides
  作者:Valle,G.; Crisma,M.; Toniolo,C.; Holt,E. M.; Tamura,M.; Et Al
  参考文献:International Journal Of Peptide & Protein Research 日期:1989 卷标:34(1) 页码:56-65]
  
  24424-99-5 + 633333-64-9 = 88950-64-5 [标题:Reaction Conditions
  标题:Titanium-Mediated Cyclopropanation Of Nitriles With Unsaturated Grignard Reagents: Application To The Synthesis Of Constrained Lysine Derivatives
  作者:Forcher,Gwenael; Clousier,Nathalie; Beauseigneur,Alice; Setzer,Paul; Boeda,Fabien; Et Al
  参考文献:Synthesis 日期:2015 卷标:47(7) 页码:992-1006

海关参考信息

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

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