The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene(SMILESS: CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2,cas:141556-42-5) is researched.Reference of 5-Methylfuran-2(3H)-one. The article 《DFT study on mechanism for polymerization of valerolactone initiated by N-heterocyclic carbene catalysts》 in relation to this compound, is published in Molecular Catalysis. Let’s take a look at the latest research on this compound (cas:141556-42-5).
Polymerization reactions using renewable raw material as substrate (namely, δ-valerolactone) and N-heterocyclic carbenes (NHC) as organocatalysts to form polyesters were investigated by computational approaches. Two routes were investigated for the reaction, either with the NHC acting as a Bronsted base and activating an alc. used as co-initiator or by direct nucleophilic attack of the NHC on the carbonyl carbon of the lactone, forming a zwitterionic intermediate. In agreement with previous studies, the lowest energy pathway leading to polymerization is that where the NHC activates the alc. co-initiator, yielding a partially charged alkoxide that then performs a nucleophilic attack on the lactone. The proton affinity of the NHCs shows a high correlation with the activation enthalpy for the first reaction step. Thus, NHCs with high proton affinity stabilize the first intermediate and make the lactone ring-opening the rate-determining step for the reaction.
There is still a lot of research devoted to this compound(SMILES：CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2)Application In Synthesis of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, and with the development of science, more effects of this compound(141556-42-5) can be discovered.
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles