Boc-Ala-OMe - ≥98% , CAS No.28875-17-4

CAS: 28875-17-4 Cat. No.: B133144 Peso molecular: 203.24 Beilstein Registry Number: 1872545

GRADE & PURITY ≥98%

Synonyms

2,2,6,6-tetramethyl piperidin-1-oxyl | AKOS010368059 | SCHEMBL709981 | N-Boc-L-alanine Methyl Ester | Boc-L-alanine methyl ester | DTXSID30446058 | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | methyl (tert-butoxycarbonyl)-L-alaninate;

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 2, 6, 6-tetramethyl piperidin-1-oxyl | AKOS010368059 | SCHEMBL709981 | N-Boc-L-alanine Methyl Ester | Boc-L-alanine methyl ester | DTXSID30446058 | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | methyl (tert-butoxycarbonyl)-L-alaninate;

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196860
• Sonrisas canónicas: CC(C(=O)OC)NC(=O)OC(C)(C)C
• IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• InChIKey: GJDICGOCZGRDFM-LURJTMIESA-N
• INCHI: 1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1
• Isómeros SMILES: C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
• WGK Alemania: 3
• Peso molecular: 203.24
• Beilstein: 1872545
• Reaxy-Rn: 1955147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955147&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Alanine and derivatives Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de fusión (°C): 32- 35℃
• Peso molecular: 203.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.116 Da
• Monoisotopic Mass: 203.116 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Jia Liu, Juan Yu, Chaoqun Xu, Bowen Li, Liang Liu, Chuanwei Lu, Yimin Fan.  (2023)  One-pot and one-step preparation of “living” cellulose nanofiber hydrogel with active double-bond via chemical vapor deposition.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37327926] [10.1016/j.ijbiomac.2023.125415]

2. Bei Jiang, Meilin Li, Shuoang Cao, Zining Wang, Lijun Huang, Xinyi Song, Yuanqiao Zhang, Quanping Yuan.  (2023)  Anisotropic Wooden Electromechanical Transduction Devices Enhanced by TEMPO Oxidization and PDMS.  ACS Omega,      [PMID:36743053] [10.1021/acsomega.2c06607]

3. Kang Lu, Wang Ying, Du Ruihan, Zhang Jinpu, Kang Chunli.  (2024)  Construction of S/g-C3N4@β-Bi2O3 heterojunction and its photocatalytic degradation of toluene in the gas phase.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  31  (43): (55836-55849).  [PMID:39245673] [10.1007/s11356-024-34840-3]

4. Xiang Liu, Mingxue Xiang, Peiduo Zhao, Zhixin Wang, Yu Wang.  (2025)  Synergistic photothermal-osmotic energy harvesting via hierarchical Ti4O7/cellulose membrane for solar-powered freshwater-electricity cogeneration.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.125116]

5. Li Zeng, Hanbin Wu, Yiyang Xu, J. Paul Chen, Yiqiao Xie, Yang Yu.  (2026)  Singlet oxygen-dominated dye degradation by cobalt-functionalized ceramic hollow fiber membrane via peroxymonosulfate activation.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2026.109987]