Related Products of 252742-72-6, New Advances in Chemical Research in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 252742-72-6, name is 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one, molecular formula is C3H4ClN3O, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.
A mixture of Example 87D (0.05 g, 0.126 mmol) and N-ethyl-N-isopropylpropan-2-amine (0.132 ml, 0.757 mmol) in Nu,Nu-dimethylformamide (1 mL) was treated with Example 637A (0.020 g, 0.151 mmol) and the reaction was stirred at room temperature for 3 hours. Additional N-ethyl-N- isopropylpropan-2-amine (0.05 mL) and additional Example 637A (0.010 g, 0.076 mmol) were added and the mixture was stirred 3 hours longer. The reaction mixture was directly purified by reverse phase HPLC on a Phenomenex Luna C8(2) 5 um IotaOmicronthetaAlpha AXIA column (30 mm x 75 mm) eluting with a gradient of 10-70percent acetonitrile in 0.1 percent ammonium acetate/water to afford the title compound. lH NMR (500 MHz, DMSO-d6) delta ppm 2.44 – 2.52 (m, 2H), 2.64 (t, J = 5.8 Hz, 2H), 3.14 (q, J = 2.7 Hz, 2H), 3.40 (s, 2H), 3.73 (s, 3H), 6.19 (d, J = 2.1 Hz, 1H), 6.44 – 6.51 (m, 1H), 7.02 (d, J = 4.9 Hz, 1H), 7.14 – 7.32 (m, 3H), 8.18 (d, J = 4.9 Hz, 1H), 1 1.24 (s, 1H), 1 1.30 – 1 1.39 (m, 1H), 1 1.77 (d, J = 2.2 Hz, 1H). MS (ESI+) m/z 421.1(M+H)+.
The result showed that such a combination of chemo- and biocatalysis improved the catalytic yield more than two times compared with that of sole metal catalysis.I hope my blog about 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one is helpful to your research.
Reference:
Patent; ABBVIE INC.; ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD.; TONG, Yunsong; BRUNCKO, Milan; CLARK, Richard F.; CURTIN, Michael L.; FLORJANCIC, Alan S.; FREY, Robin R.; GONG, Jianchun; HANSEN, Todd M.; JI, Zhiqin; LAI, Chunqiu; MASTRACCHIO, Anthony; MICHAELIDES, Michael; MIYASHIRO, Juliem; RISI, Roberto M.; SONG, Xiaohong; TAO, Zhi-fu; WOODS, Keith W.; ZHU, Guidong; PENNING, Thomas; SOUERS, Andrew; GOSWAMI, Rajeev; IQUTURI, Omprakash Reddy; DABBEERU, Madhu Babu; WO2014/139328; (2014); A1;,
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