478799-31-4

Basic information

• Product Name: 1H-Imidazolium, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-3-(2,4,6-trimethylphenyl)-, bromide
• CAS NO: 478799-31-4
• Molecular Formula: C17H22N3O.Br
• Molecular Weight: 364.285
• Mol File: 478799-31-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1H-Imidazolium, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-3-(2,4,6-trimethylphenyl)-, bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Imidazolium, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-3-(2,4,6-trimethylphenyl)-, bromide(478799-31-4)
• EPA Substance Registry System: 1H-Imidazolium, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-3-(2,4,6-trimethylphenyl)-, bromide(478799-31-4)

Safety Data

• Hazardous Substances Data: 478799-31-4(Hazardous Substances Data)

Upstream product

• 30093-99-3 4,4-dimethyl-2-oxazoline 
• 25364-44-7 N-(2,4,6-trimethylphenyl)imidazole 
• 458525-55-8 2-bromo-4,5-dihydro-4,4-dimethyloxazole 

Downstream Products

• 821772-64-9 bromo(carbonyl)[1-(4,5-dihydro-4,4-dimethyloxazol-2-yl)-3-mesitylimidazol-2-ylidene]rhodium(I) 
• 821772-59-2 bromo[1-(4,5-dihydro-4,4-dimethyloxazol-2-yl)-3-mesitylimidazol-2-ylidene](η4-2,5-norbornadiene)rhodium(I) 
• 821772-58-1 bromo(η4-cyclooctadiene)[1-(4,5-dihydro-4,4-dimethyloxazol-2-yl)-3-mesitylimidazol-2-ylidene]rhodium(I) 

Relevant articles and documents

Cationic and neutral rhodium(I) oxazolinylcarbene complexes

Reaction of [Rh(μ-OtBu)(diene)]2 [diene = 1,5-cyclooctadiene (COD) or bicyclo[2.2.1]hepta-2,5-diene (NBD)] with the oxazolinylcarbene ligand precursor 2-(4,4-dimethyl)oxazolinyl-imidazolium bromide ("Me 2carboxH+Br-", 2) yielded the five-coordinate complexes [RhBr(Me2carbox)(diene)] [diene = COD (3), NBD (4)]. Single-crystal X-ray structure analyses established a distorted trigonal bipyramidal configuration for 3, whereas the molecular structure of 4 is distorted square pyramidal. The dynamic properties of these five-coordinate complexes have been investigated by variable temperature 1H NMR spectroscopy, indicating polytopal rearrangements of the five-coordinate complexes. The two compounds were converted into the square-planar cationic complexes [Rh(Me2carbox)(diene)]+ (5 and 6, respectively), which have been isolated and fully characterised. The rhodium complex [RhBr(Me2carbox)(CO)] (7) was obtained in high yield in a one-step reaction of the ligand precursor 2 and [Rh(acac)-(CO)2] (acac = acetylacetonate). Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.