Product Details of 872-36-6In 2020 ,《σ-Bond Migration Assisted Decarboxylative Activation of Vinylene Carbonate in Rh-Catalyzed 4 + 2 Annulation: A Theoretical Study》 was published in Organometallics. The article was written by Shen, Boming; Liu, Song; Zhu, Lei; Zhong, Kangbao; Liu, Fenru; Chen, Haohua; Bai, Ruopeng; Lan, Yu. The article contains the following contents:
As a C2 synthon, vinylene carbonate was used instead of acetylene in transition-metal catalyzed-coupling reactions. The mechanism of the vinylene carbonate activation mode for the Rh(III)-catalyzed 4 + 2 annulation of benzamide and vinylene carbonate reaction is proposed, and it was studied by DFT with the M06 d. functional. The computational results show that the proposed reaction pathway, which includes the insertion of vinylene carbonate into an Rh-C bond, decarboxylation of the seven-membered rhodacycle intermediate, protonation of the ketonate Rh intermediate, deprotonation of the benzamide, and catalyst regeneration, is the most favorable pathway. The 1,2-Rh migration process can assist decarboxylative activation of vinylene carbonate, which is the rate-determining step in the catalytic cycle. The IRC calculation clearly revealed a quasi-synchronized process to directly afford a cyclic ketonate Rh intermediate by the release of CO2. In the experimental materials used by the author, we found Vinylene carbonate(cas: 872-36-6Product Details of 872-36-6)
Vinylene carbonate(cas: 872-36-6) belongs to esters. Alkyl carbonates find applications as solvents for lithium ion battery electrolytes and the use of high quality battery grade electrolytes having extremely low water (<10 ppm) and acid (<10 ppm) contents are critical for achieving high electrochemical performance.Product Details of 872-36-6
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics