1,3-Bis(2,6-di-i-propylphenyl)imidazolidin-2-ylidene - ≥98% , CAS No.258278-28-3

CAS: 258278-28-3 Cat. No.: B115652 Peso molecular: 390.62 Número EC: 679-572-4

GRADE & PURITY ≥98%

Synonyms

SIPr | XZDYFCGKKKSOEY-UHFFFAOYSA-N | A877468 | AKOS016000538 | SC11696 | 1,3-Bis(2,6-di-i-propylphenyl)imidazolidin-2-ylidene | DTXSID80447035 | 1,3-bis[2,6-bis(propan-2-yl)phenyl]-4,5-dihydro-3H-1??-imidazol-1-ylium-2-ide | FT-0700099 | AKOS025243481 | 1

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

It is a catalyst for transformation of organometallic iron complexes、selective production of 5-hydroxymethylfurfural from glucose and fructose、annulation of heterocycles via redox processing、 pyridines、cyclotrimerization of isocyanates and ring-opening alkylation.

Specifications

Sinónimos

SIPr | XZDYFCGKKKSOEY-UHFFFAOYSA-N | A877468 | AKOS016000538 | SC11696 | 1, 3-Bis(2, 6-di-i-propylphenyl)imidazolidin-2-ylidene | DTXSID80447035 | 1, 3-bis[2, 6-bis(propan-2-yl)phenyl]-4, 5-dihydro-3H-1??-imidazol-1-ylium-2-ide | FT-0700099 | AKOS025243481 | 1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide
• InChIKey: XZDYFCGKKKSOEY-UHFFFAOYSA-N
• INCHI: 1S/C27H38N2/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/h9-14,18-21H,15-16H2,1-8H3
• Isómeros SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
• Peso molecular: 390.62
• Reaxy-Rn: 8439655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8439655&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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aniline or substituted anilines - 2-imidazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

• Sensibilidad: light & Moisture & heat & air sensitive
• Punto de fusión (°C): 170-175°C
• Peso molecular: 390.600 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 390.303 Da
• Monoisotopic Mass: 390.303 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 29
• 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: 1