1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride - ≥97% , CAS No.258278-25-0

CAS: 258278-25-0 Cat. No.: B138573 Peso molecular: 427.06 Número EC: 627-991-8

GRADE & PURITY ≥97%

Synonyms

EN300-7363190 | DS-13499 | 1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride, 97% | 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride | W-206988 | 1,3-Bis[2,6-bis(isopropyl)phenyl]-4,5-dihydro-1H-imidazol-3-ium chloride | C27H39ClN

Storage

Room temperature

Shipped In

Normal

Descripción general

1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride was employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.
Employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.

Specifications

Sinónimos

EN300-7363190 | DS-13499 | 1, 3-Bis-(2, 6-diisopropylphenyl)imidazolinium chloride, 97% | 1, 3-bis[2, 6-di(propan-2-yl)phenyl]-4, 5-dihydroimidazol-1-ium;chloride | W-206988 | 1, 3-Bis[2, 6-bis(isopropyl)phenyl]-4, 5-dihydro-1H-imidazol-3-ium chloride | C27H39ClN

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192687
• Sonrisas canónicas: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[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]-4,5-dihydroimidazol-1-ium;chloride
• InChIKey: LWPXTYZKAWSRIP-UHFFFAOYSA-M
• INCHI: 1S/C27H39N2.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;/h9-14,17-21H,15-16H2,1-8H3;1H/q+1;/p-1
• Isómeros SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• WGK Alemania: 3
• Peso molecular: 427.06
• Reaxy-Rn: 8462171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8462171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cumene - Phenylpropane - Aniline or substituted anilines - 2-imidazoline - Amidine - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organonitrogen compound - Organic chloride salt - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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 water (partly), and methanol.
• Punto de fusión (°C): 293 °C
• Peso molecular: 427.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 426.28 Da
• Monoisotopic Mass: 426.28 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 466.000
• 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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