2-Mesityl-5-methylimidazo[1,5-a]pyridinium chloride - ≥97% , CAS No.1034449-18-7

CAS: 1034449-18-7 Cat. No.: M468539 Peso molecular: 286.8 Número EC: 694-029-1

GRADE & PURITY ≥97%

Synonyms

2-Mesityl-5-methylimidazo[1,5-a]pyridinium chloride | E?-imidazo[1,5-a]pyridin-2-ylium chloride | 5-Methyl-2-(2,4,6-trimethylphenyl)-2H-imidazo[1,5-a]pyridin-4-ium chloride | 2-Mesityl-5-methyl-2h-imidazo[1,5-a]pyridin-4-ium chloride | DTXSID00584911 | 2-

Storage

Room temperature

Descripción general

Description

Reactant for gold cycloisomerization catalytic reactionsStableN-heterocyclic carbene precursor.

Specifications

Sinónimos

2-Mesityl-5-methylimidazo[1, 5-a]pyridinium chloride | E?-imidazo[1, 5-a]pyridin-2-ylium chloride | 5-Methyl-2-(2, 4, 6-trimethylphenyl)-2H-imidazo[1, 5-a]pyridin-4-ium chloride | 2-Mesityl-5-methyl-2h-imidazo[1, 5-a]pyridin-4-ium chloride | DTXSID00584911 | 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC2=C[N+](=CN12)C3=C(C=C(C=C3C)C)C.[Cl-]
• IUPAC Name: 5-methyl-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;chloride
• InChIKey: DJFXURXZOPNPGY-UHFFFAOYSA-M
• INCHI: 1S/C17H19N2.ClH/c1-12-8-13(2)17(14(3)9-12)18-10-16-7-5-6-15(4)19(16)11-18;/h5-11H,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CC1=CC=CC2=C[N+](=CN12)C3=C(C=C(C=C3C)C)C.[Cl-]
• Peso molecular: 286.8
• Reaxy-Rn: 9965924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9965924&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: Imidazopyridines Methylpyridines Pyridinium derivatives N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylimidazole - Imidazopyridine - Methylpyridine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Organic chloride salt - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic salt - 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

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): >300℃
• Peso molecular: 286.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 286.124 Da
• Monoisotopic Mass: 286.124 Da
• Topological Polar Surface Area: 8.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 304.000
• 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: 2

XLogP3