1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride - ≥97% , CAS No.250285-32-6

CAS: 250285-32-6 Cat. No.: B115648 Peso molecular: 425.05 Número EC: 627-434-9

GRADE & PURITY ≥97%

Synonyms

FT-0647536 | 1,3-Bis(2,6-diisopropylphenyl)imidazol-1-ium chloride | E?-imidazol-1-ylium chloride | 2,5-Bis(2,6-diisopropylphenyl)imidazolium chloride | 1,3-bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium chloride | EN300-264573 | SCHEMBL360316 | DS-1503 | 1

Storage

Desiccated,Room temperature

Shipped In

Normal

Descripción general

Used with palladium acetate to generate an N-heterocyclic carbene catalyst for carbonylative cross-coupling of pyridyl halides with aryl boronic acids.

Specifications

Sinónimos

FT-0647536 | 1, 3-Bis(2, 6-diisopropylphenyl)imidazol-1-ium chloride | E?-imidazol-1-ylium chloride | 2, 5-Bis(2, 6-diisopropylphenyl)imidazolium chloride | 1, 3-bis(2, 6-diisopropylphenyl)-1h-imidazol-3-ium chloride | EN300-264573 | SCHEMBL360316 | DS-1503 | 1

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761222
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761222
• Sonrisas canónicas: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
• InChIKey: AVJBQMXODCVJCJ-UHFFFAOYSA-M
• INCHI: 1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1
• Isómeros SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• WGK Alemania: 3
• Peso molecular: 425.05
• Reaxy-Rn: 8460977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8460977&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: Phenylpropanes Cumenes N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Phenylpropane - Cumene - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Hygroscopic.
• Punto de fusión (°C): 278°C
• Peso molecular: 425.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 424.265 Da
• Monoisotopic Mass: 424.265 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 421.000
• 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

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