1450713-40-2

Basic information

• Product Name: (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium bromide
• Synonyms: (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium bromide
• CAS NO: 1450713-40-2
• Molecular Weight: 567.612
• Mol File: 1450713-40-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium bromide(1450713-40-2)
• EPA Substance Registry System: (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium bromide(1450713-40-2)

Safety Data

• Hazardous Substances Data: 1450713-40-2(Hazardous Substances Data)

Upstream product

• 2567-29-5 p-phenylbenzyl bromide 
• 1353761-69-9 (S)-4-benzyl-1-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazole 

Relevant articles and documents

Synthesis and characterization of a series of chiral NHC-Pd complexes derived from l-phenylalanine

The synthesis of a series of chiral Pd(L)PyBr2 (3a-3e) and Pd(L)PyCl2 (4d and 4e) complexes from l-phenylalanine is presented (L = (S)-3-allyl-4-benzyl-1-(2,6-diisopropylphenyl)-imidazolin-2-ylidene (a), (S)-4-benzyl-1-(2,6-diisopropylphenyl)-3-(naphthalen-2-ylmethyl) imidazolin-2-ylidene (b), (S)-4-benzyl-3-(biphenyl-4-ylmethyl)-1-(2,6- diisopropylphenyl)imidazolin-2-ylidene (c), (S)-4-benzyl-1-(2,6- diisopropylphenyl)-3-(naphthalen-1-ylmethyl)imidazolin-2-ylidene (d) or (S)-4-benzyl-1-(2,6-diisopropylphenyl)-3-(2,4,6-trimethylbenzyl) imidazolin-2-ylidene (e). The complexes were characterized by physicochemical and spectroscopic methods, and the X-ray crystal structures of 3a-3c and 4d are reported. In each case, there is a slightly distorted square-planar geometry around palladium, which is surrounded by imidazolylidene, two trans halide ligands and a pyridine ligand. There are π-π stacking interactions in the crystal structures of these complexes. Complex 3a showed good catalytic activity in the Cu-free Sonogashira coupling reaction under aerobic conditions.