| Abstrakt: |
In recent years, scientists have become increasingly interested in finding high-efficacy, low-toxicity anti-tumor compounds. Combretastatin A-4 (CA-4) is supposed to be one of the materials that has excellent anti-tumor properties. This study intends to develop a more acceptable pathway and cross-coupling mechanism to resolve the contest between Negishi and Suzuki–Miyaura cross-coupling to form a combretastatin analogue A-4 by using the CAM-B3LYP-D3 theory level with DEF2-SVP basis set in the presence of N , N -dimethylformamide as a solvent. First, due to the experimental data for the formation of 4-methyl- 4 ′ -methoxybiphenyl in the Suzuki–Miyaura and Negishi reactions, two designated reactions were used to determine the 4-methyl- 4 ′ -methoxybiphenyl formation cycle. The mechanism for the progression of the regioselective compound 2-methoxy-5-(3-(3,4,5-trimethoxy phenyl) furan-2-yl) phenol via Suzuki–Miyaura and Negishi reactions can theoretically be reconciled with a more appropriate cross-coupling and pathway. This study intends to develop a more acceptable pathway and cross-coupling mechanism to resolve the contest between Negishi and Suzuki-Miyaura cross-coupling to form a combretastatin analogue A-4. Due to the experimental data for the formation of 4-methyl-4′-methoxybiphenyl in the Suzuki-Miyaura and Negishi reactions, two designated reactions were used to determine the 4-methyl-4′-methoxybiphenyl formation cycle. The results confirmed that pathway (a) of Negishi cross-coupling reaction is kinetically more advantageous for the formation of 2-methoxy-5-(3,4,5-trimethoxyphenyl) furan-2-yl) phenol. [ABSTRACT FROM AUTHOR] |
