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 Molecular Weight: 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

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

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN2C(=NC=C2C3=CC=CC=C3)C1
• Molecular Weight: 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
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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