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- Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)]
Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)]
PRICE INQUIRYCatalog Number
ACM1242081293
Product Name
Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)]
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/1242081-29-3.gif)
CAS
1242081-29-3
Synonyms
[(4S,5S)-2-[3-[(4S,5S)-1-Benzoyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]benzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-phenylmethanone;palladium(2+);bromide
IUPAC Name
[(4S,5S)-2-[3-[(4S,5S)-1-benzoyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]benzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-phenylmethanone;palladium(2+);bromide
Molecular Weight
912.2
Molecular Formula
C50H37BrN4O2Pd
Canonical SMILES
C1=CC=C(C=C1)C2C(N(C(=N2)C3=[C-]C(=CC=C3)C4=NC(C(N4C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)C9=CC=CC=C9.[Br-].[Pd+2]
InChI
InChI=1S/C50H37N4O2.BrH.Pd/c55-49(39-28-15-5-16-29-39)53-45(37-24-11-3-12-25-37)43(35-20-7-1-8-21-35)51-47(53)41-32-19-33-42(34-41)48-52-44(36-22-9-2-10-23-36)46(38-26-13-4-14-27-38)54(48)50(56)40-30-17-6-18-31-40;/h1-33,43-46H;1H;/q-1;+2/p-1/t43-,44-,45-,46-;/m0/s1
InChI Key
KZAGTVGVDHDPDZ-MPWDBGIYSA-M
Purity
96%
Complexity
1430
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
4
Exact Mass
910.11347
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
58
Isomeric SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](N(C(=N2)C3=[C-]C(=CC=C3)C4=N[C@H]([C@@H](N4C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)C9=CC=CC=C9.[Br-].[Pd+2]
Monoisotopic Mass
910.11347
Rotatable Bond Count
8
Topological Polar Surface Area
65.3 Ų
Application
Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)] is an organometallic catalyst specifically designed to facilitate the enantioselective Mannich-type reaction between α,α-dithioacetonitriles and imines. This catalyst plays a crucial role in controlling the chiral outcome of the reaction, thus enabling the synthesis of compounds with high enantiomeric purity, which are essential in various applications within the pharmaceutical and chemical industries.
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