Ethyl 7-Boc-5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylate - ≥97% , CAS No.1053656-22-6

CAS: 1053656-22-6 Cat. No.: T626678 Peso molecular: 295.34

GRADE & PURITY ≥97%

Synonyms

J-521212 | DTXSID40680062 | 1053656-22-6 | PB47975 | BCP19264 | 7-tert-Butyl 2-ethyl 5,6-dihydroimidazo-[1,2-a]pyrazine-2,7(8H)-dicarboxylate | 7-TERT-BUTYL 2-ETHYL 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZINE-2,7(8H)-DICARBOXYLATE | A847398 | 7-tert-butyl 2-ethyl 5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J-521212 | DTXSID40680062 | 1053656-22-6 | PB47975 | BCP19264 | 7-tert-Butyl 2-ethyl 5, 6-dihydroimidazo-[1, 2-a]pyrazine-2, 7(8H)-dicarboxylate | 7-TERT-BUTYL 2-ETHYL 5, 6-DIHYDROIMIDAZO[1, 2-A]PYRAZINE-2, 7(8H)-DICARBOXYLATE | A847398 | 7-tert-butyl 2-ethyl 5

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CN2CCN(CC2=N1)C(=O)OC(C)(C)C
• IUPAC Name: 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate
• InChIKey: UQNMISYKKAQDDT-UHFFFAOYSA-N
• INCHI: 1S/C14H21N3O4/c1-5-20-12(18)10-8-16-6-7-17(9-11(16)15-10)13(19)21-14(2,3)4/h8H,5-7,9H2,1-4H3
• Isómeros SMILES: CCOC(=O)C1=CN2CCN(CC2=N1)C(=O)OC(C)(C)C
• CAS alternativo: 1053656-22-6；623906-17-2
• Peso molecular: 295.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carbamate esters Tertiary amines Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazole-4-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• 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 ebullición (°C): 457.7±35.0 °C at 760 mmHg
• Peso molecular: 295.330 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 295.153 Da
• Monoisotopic Mass: 295.153 Da
• Topological Polar Surface Area: 73.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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