CAS: 87694-49-3; Boc-Ala-Nme(Ome)

• 英文名称Boc-Ala-Nme(Ome)
• 中文名称N-(叔丁氧基羰基)-L-丙氨酸N-甲氧基-N-甲基酰胺
• IUPAC名称tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate
• 其它别名N-Boc-L-Alanine N'-Methoxy-N'-Methylamide
• CAS编号87694-49-3
• MFCD编号:MFCD00151859
• 分子式:C10H20N2O4
• 分子量:232.28
• 产品CID: 1885434
• 产品分类生物化工 → 氨基酸及其衍生物 → 丙氨酸类衍生物

• 相似结构搜索
• InChIKey: PWQIGBOSLQHOBT-UHFFFAOYNA-N
• InChI=1/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/s3…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数7.0

物理性质

• 熔点148-153 °C(文献)
• 沸点148-153 °C(文献)
• 密度1.1±0.1 g/cm3
• pKa:11.19±0.46(预测)
• PSA:67.87
• LogP:1.07
• 折射率1.457
• 溶解性Soluble In Methanol
• 敏感性避免强氧化剂
• 外观形态白色至类白色结晶粉末或粉末
• 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作有机化学和医药化学的合成中间体,通过受控核生殖反应制备甲胺酮和酮.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H332-H335-
• 防范说明P261-P280-P305+P351+P338-
• UN编号NONH for all modes of transport
• 危险品标志Xi
• WGK Germany3.0

上下游产品

合成工艺路线路线简述

• 15761-38-3 + 6638-79-5 = 87694-49-3
  反应条件:1.1 Reagents: Diisopropylethylamine,Bop Reagent Solvents: Dichloromethane; Overnight,Rt
  标题:Radiolabeled Antagonistic Bombesin Peptidomimetics For Tumor Targeting
  作者:Valverde,Ibai E.; Et Al
  参考文献:Journal Of Labelled Compounds And Radiopharmaceuticals 日期:2014 卷标:57(4) 页码:275-278]
  
  15761-38-3 + 6638-79-5 = 87694-49-3
  反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dichloromethane; 1 H,23 °C1.2 16 H,23 °C
  标题:A Continuous Fluorescence Displacement Assay For Bioa: An Enzyme Involved In Biotin Biosynthesis
  作者:Wilson,Daniel J.; Et Al
  参考文献:Analytical Biochemistry 日期:2011 卷标:416(1) 页码:27-38]
  
  1117-97-1 + 15761-38-3 = 87694-49-3
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane; 10 Min,0 °C1.2 Reagents: 1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide,1-Hydroxybenzotriazole; 10 Min,0 °C1.3 Reagents: Diisopropylethylamine; 1 H,0 °C; 0 °C -> 25 °C; 16 H,25 °C
  标题:Rational Design Of The First Difluorostatone-Based Pfsub1 Inhibitors
  作者:Giovani,Simone; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(15) 页码:3582-3586]
  
  15761-38-3 = 87694-49-3 [标题:Reaction Conditions
  标题:A Facile Approach To Trans-4,5-Pyrrolidine Lactam And Application In The Synthesis Of Nemonapride And Streptopyrrolidine
  作者:Huang,Wei; Et Al
  参考文献:Tetrahedron 日期:2011 卷标:67(40) 页码:7829-7837]
  
  15761-38-3 + 37073-15-7 = 87694-49-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; Rt; 6 - 12 H,Reflux2.1 Solvents: Tetrahydrofuran; 5 Min; 24 H,Rt
  标题:An Efficient Conversion Of Carboxylic Acids Into Weinreb Amides
  作者:Katritzky,Alan R.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2002 卷标:(11) 页码:39-44]
  
  15761-38-3 + 6638-79-5 = 87694-49-3
  反应条件:1.1 Reagents: Diisopropylethylamine,Bop Reagent Solvents: Dichloromethane
  标题:1,2,3-Triazoles As Amide Bond Mimics: Triazole Scan Yields Protease-Resistant Peptidomimetics For Tumor Targeting
  作者:Valverde,Ibai E.; Et Al
  参考文献:Angewandte Chemie 日期:2013 卷标:52(34) 页码:8957-8960]
  
  1117-97-1 + 15761-38-3 = 87694-49-3
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Chloroform
  标题:Synthesis Of Optically Active N-Protected α-Amino Ketones And α-Amino Alcohols
  作者:Zhou,Zheng Hong; Et Al
  参考文献:Heteroatom Chemistry 日期:2003 卷标:14(7) 页码:603-606]
  
  1892-57-5 + 15761-38-3 = 87694-49-3
  反应条件:1.1 Reagents: 4-Methylmorpholine,N,O-Dimethylhydroxylamine Hydrochloride Solvents: Dichloromethane; -15 °C; 30 Min,-15 °C; 24 H,Rt
  标题:In Vitro And In Vivo Comparative And Competitive Activity-Based Protein Profiling Of Gh29 α-L-Fucosidases
  作者:Jiang,Jianbing; Et Al
  参考文献:Chemical Science 日期:2015 卷标:6(5) 页码:2782-2789]
  
  6638-79-5 = 87694-49-3
  反应条件:1.1 Solvents: Tetrahydrofuran; 5 Min; 24 H,Rt
  标题:An Efficient Conversion Of Carboxylic Acids Into Weinreb Amides
  作者:Katritzky,Alan R.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2002 卷标:(11) 页码:39-44]
  
  15761-38-3 + 6638-79-5 = 87694-49-3
  反应条件:1.1 Reagents: Triethylamine,Isobutyl Chloroformate Solvents: Tetrahydrofuran
  标题:A Convenient Synthesis Of Chiral Peptide Nucleic Acid (Pna) Monomers
  作者:Kosynkina,Larisa; Et Al
  参考文献:Tetrahedron Letters 日期:1994 卷标:35(29) 页码:5173-6]
  
  15761-38-3 + 32117-82-1 = 87694-49-3
  反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Tetrahydrofuran; Rt
  标题:Cu(I)-Catalyzed [3+2] Cycloadditions Of Tert-Butyl (S)-(3-Oxo-Pent-4-Yn-2-Yl)Carbamate To 1-Benzylidenepyrazol-3-One-Derived Azomethine Imines
  作者:Pusavec,Eva; Et Al
  参考文献:Zeitschrift Fuer Naturforschung 日期:2014 卷标:69(5) 页码:615-626]
  
  15761-38-3 = 87694-49-3 [标题:Reaction Conditions
  标题:A Four-Step Synthesis Of Novel (S)-1-(Heteroaryl)-1-Aminoethanes From (S)-Boc-Alanine
  作者:Senica,Luka; Et Al
  参考文献:Acta Chimica Slovenica 日期:2015 卷标:62(1) 页码:60-71]
  
  24424-99-5 + 56-41-7 = 87694-49-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; -10 °C; 12 H,20 - 25 °C1.2 Reagents: Potassium Bisulfate Solvents: Water; Ph 2 - 3,-15 °C2.1 Reagents: 4-Methylmorpholine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 30 Min,-10 °C; 4 H,0 °C2.2 Reagents: Ammonium Chloride Solvents: Water; 0 °C
  标题:Synthesis And Characterization Of Novel Atypical Sphingoid Bases
  作者:Saied,Essa M.; Et Al
  参考文献:Chemrxiv 日期:2020 卷标:1 页码:1-54]
  
  24424-99-5 + 56-41-7 = 87694-49-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; -10 °C; 12 H,Rt; Rt -> -15 °C1.2 Reagents: Potassium Bisulfate Solvents: Water; Ph 2 - 3,-15 °C2.1 Reagents: 1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane,N-Methyl-2-Pyrrolidone; 30 Min,Ph 8 - 9,-20 °C; 4 H,0 °C2.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Synthesis And Characterization Of Some Atypical Sphingoid Bases
  作者:Saied,Essa M.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2018 卷标:26(14) 页码:4047-4057

海关参考信息

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