In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system., HPLC of Formula: C9H4F3NO3
General procedure: A mixture of bisarylidenepiperidin-4-one (1.36 mmoL), isatin (2.72 mmoL) and L-phenylalanine (2.72 mmoL) were heated with stirring in [bmim]Br medium (3 mL) for 1 h at 100 C. After completion of the reaction (TLC), ethyl acetate (2 x 5 mL) was added and the reaction mixture was stirred for 10 min. The organic layer was removed under reduced pressure and the crude product was purified by column chromatography (ethyl acetate:hexane v/v 3:7). 5′-Benzyl-4′-(p-methoxyphenyl)-5-(trifluoromethoxy)spiro[3,2′]oxindolopyrrolidino-4′-(p-methoxyphenyl)-1?-styryl-5-benzylidene-spiro[3′.3?]piperidin-4?-one (5l): Melting point 270-272 C; White solid, 92%; 1H-NMR (CDCl3, 400 MHz): delta/ppm 5.00 (d, J = 14.64 Hz, 1H), 4.67-4.70 (m, 1H), 4.33 (d, J = 10.24 Hz, 1H), 3.86 (d, J = 13.92 Hz, 1H), 3.81 (s, 3H), 3.79 (s, 3H), 3.76 (d, J = 16.92 Hz, 1H), 3.47 (d, J = 15.4 Hz, 1H), 3.06 (d, J = 11.72 Hz, 1H), 2.75-2.79 (dd, J = 13.96, 8.08 Hz, 1H), 2.72 (d, J = 13.92 Hz, 1H), 6.59-6.66 (m, 2H), 7.14-7.63 (m, 21H, Ar); 13C-NMR (CDCl3, 100 MHz): delta/ppm 39.6, 47.3, 52.7, 53.1, 55.3, 55.4, 61.1, 67.3, 70.9, 100.8, 109.7, 114.1, 114.4, 121.1, 122.2, 124.7, 124.9, 126.5, 127.4, 128.5, 128.6, 128.7, 129.3, 129.9, 130.1, 130.4, 134.5, 136.9, 138.3, 138.5, 138.7, 139.8, 139.8, 144.4, 179.6, 197.2. EI-MS: m/z 771 (M+). Anal. Calcd for C46H40F3N3O5: C, 71.58; H, 5.22; N, 5.44. Found: C, 71.71; H, 5.34; N, 5.56.
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Reference:
Article; Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Govindasami, Periyasami; Al-thamili, Dhaifallah M.; Krishnamoorthy, Rajapandian; Periasamy, Vaiyapuri Subbarayan; Alshatwi, Ali A.; Mahalingam; Thangamani, Shankar; Menendez, J. Carlos; Molecules; vol. 23; 5; (2018);,
Indoline – Wikipedia,
Indoline | C8H9N – PubChem