Computed Properties of C9H11BrIn 2020 ,《Fine Tuning of Chiral Bis(N-heterocyclic carbene) Palladium Catalysts for Asymmetric Suzuki-Miyaura Cross-Coupling Reactions: Exploring the Ligand Modification》 was published in Organometallics. The article was written by Zhang, Dao; Yu, Jueqin. The article contains the following contents:
Novel chiral N,N’-bisaryl bis(NHC) ligand precursors H2[(S)-2]Cl2 on a spiro scaffold and H2[(S)-3b-g]Cl2 with a binaphthyl linkage were rationally designed and their cyclometalated cis-chelated NHC Pd complexes (S)-5, (S)-6, and (S)-7b-g were synthesized and fully characterized. Complexes 6 and 7b were further confirmed by x-ray single-crystal anal. Both complexes adopted a slightly distorted square planar geometry around the Pd(II) center. The structure of 6 consists of a rare dimeric arrangement incorporating two Pd(II) centers bonded through a short metal-metal bond (2.853(2) Å), indicating a PdII-PdII intramol. interaction (<3.00 Å). These N,N'-bisaryl-bis(NHC)-Pd complexes together with N,N'-bisalkyl analogs {[(S)-1a-d]PdX2} (X = I, (S)-4a; X = Br, (S)-4b-d) were used in the asym. aryl-aryl cross-coupling reactions of arylboronic acids and aryl halides. The enantioselectivity of the biaryl products was greatly improved within 24 h (up to 74% ee) when complexes 7a-g were used as catalysts. For these types of bis(NHC) Pd catalysts the structural characters of the chiral scaffolds play a decisive role in the enantioselectivities of cross-coupling reactions. After reading the article, we found that the author used 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Computed Properties of C9H11Br)
1-Bromo-2-isopropylbenzene(cas: 7073-94-1) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Computed Properties of C9H11Br Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary