Ethyl N-Boc-L-proline-4-ene - ≥98% , CAS No.178172-26-4

CAS: 178172-26-4 Cat. No.: E358443 Fórmula: C₁₂H₁₉NO₄ Peso molecular: 241.28

CALIDAD & PUREZA ≥98%

Synonyms

1-O-tert-butyl 2-O-ethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate | DTXSID60441793 | AKOS015909619 | AC-25292 | Ethyl (S)-1-Boc-2,3-dihydropyrrole-2-carboxylate | (S)-1-tert-Butyl2-ethyl2,3-dihydro-1H-pyrrole-1,2-dicarboxylate | AZVLZXHTXUIWRZ-VIFPVBQESA

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Especificaciones

Sinónimos

1-O-tert-butyl 2-O-ethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate | DTXSID60441793 | AKOS015909619 | AC-25292 | Ethyl (S)-1-Boc-2,3-dihydropyrrole-2-carboxylate | (S)-1-tert-Butyl2-ethyl2,3-dihydro-1H-pyrrole-1,2-dicarboxylate | AZVLZXHTXUIWRZ-VIFPVBQESA

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C1CC=CN1C(=O)OC(C)(C)C

IUPAC Name

1-O-tert-butyl 2-O-ethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate

InChIKey

AZVLZXHTXUIWRZ-VIFPVBQESA-N

INCHI

1S/C12H19NO4/c1-5-16-10(14)9-7-6-8-13(9)11(15)17-12(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m0/s1

Isómeros SMILES

CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C

Peso molecular

241.28

Reaxy-Rn

35702224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35702224&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: Pyrroline carboxylic acids Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Pyrroline - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic 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

• Peso molecular: 241.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 241.131 Da
• Monoisotopic Mass: 241.131 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 330.000
• 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