7-Boc-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine - ≥95% , CAS No.1226776-87-9

CAS: 1226776-87-9 Cat. No.: B180433 Peso molecular: 299.4

GRADE & PURITY ≥95%

Synonyms

tert-butyl 3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate | AKOS015903577 | 1226776-87-9 | 7-BOC-3-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE | AMY20420 | FT-0766848 | BZB77687 | MFCD16495904 | tert-Butyl 3-phenyl-5,6-dihydroimidazo[1,2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

tert-butyl 3-phenyl-6, 8-dihydro-5H-imidazo[1, 2-a]pyrazine-7-carboxylate | AKOS015903577 | 1226776-87-9 | 7-BOC-3-PHENYL-5, 6, 7, 8-TETRAHYDROIMIDAZO[1, 2-A]PYRAZINE | AMY20420 | FT-0766848 | BZB77687 | MFCD16495904 | tert-Butyl 3-phenyl-5, 6-dihydroimidazo[1, 2

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCN2C(=NC=C2C3=CC=CC=C3)C1
• IUPAC Name: tert-butyl 3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
• InChIKey: NCLANSDSIRSLJV-UHFFFAOYSA-N
• INCHI: 1S/C17H21N3O2/c1-17(2,3)22-16(21)19-9-10-20-14(11-18-15(20)12-19)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCN2C(=NC=C2C3=CC=CC=C3)C1
• Peso molecular: 299.4
• Reaxy-Rn: 19911926
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19911926&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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: 299.370 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 299.163 Da
• Monoisotopic Mass: 299.163 Da
• Topological Polar Surface Area: 47.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 401.000
• 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