N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid - ≥98%(HPLC)(T) , CAS No.53100-44-0

CAS: 53100-44-0 Cat. No.: S138951 Peso molecular: 229.23 Número EC: 258-362-2

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

(S)-1-Boc-5-oxopyrrolidine-2-carboxylic Acid | (S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester | N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid | EN300-185979 | 1-(tert-Butyl) hydrogen (S)-5-oxopyrrolidine-1,2-dicarboxylate | M03206 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-1-Boc-5-oxopyrrolidine-2-carboxylic Acid | (S)-5-Oxo-1, 2-pyrrolidinedicarboxylic acid, 1-(1, 1-dimethylethyl) ester | N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid | EN300-185979 | 1-(tert-Butyl) hydrogen (S)-5-oxopyrrolidine-1, 2-dicarboxylate | M03206 |

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504756570
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756570
• Sonrisas canónicas: CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)O
• IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
• InChIKey: MJLQPFJGZTYCMH-LURJTMIESA-N
• INCHI: 1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O
• WGK Alemania: 3
• Peso molecular: 229.23
• Reaxy-Rn: 406011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=406011&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 Proline and derivatives

• 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: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Dicarboximides Carbamate esters Organic carbonic acids and derivatives Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - 2-pyrrolidone - Pyrrolidone - Carbamic acid ester - Pyrrolidine - Dicarboximide - Carbonic acid derivative - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Rotación específica [α]: -34° (C=1,CHCl3)
• Punto de fusión (°C): 118-123℃
• Peso molecular: 229.230 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.095 Da
• Monoisotopic Mass: 229.095 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 331.000
• 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