Kang, Tao published the artcileMicrowave assistant synthesis and crystal structures of two substituted oxazole isoxazole carboxamides, HPLC of Formula: 3919-74-2, the publication is Chinese Journal of Structural Chemistry (2020), 39(10), No pp. given, database is CAplus.
Two novel substituted Ph oxazole isoxazole carboxamides I was synthesized by microwave assistant technol. The target compounds were characterized by IR, 1H NMR, 13C NMR and HRMS, and their single-crystal structures were further determined by X-ray diffraction. Compound I [R1=R2 = H; R3 = Me; R4 = isopropyl] crystallizes in monoclinic system, space group P21/c with a = 6.2137(12), b = 19.923(4), c = 13.748(3) Å, β = 92.30(3)°, V = 1700.6(6) Å3, Dc = 1.228 Mg/m3, Z = 4, F(000) = 672, μ(MoKα) = 0.084 mm-1, R = 0.0526 and wR = 0.1259. Compound I [R1 = F; R2 = Cl; R3 = Me, R4 = Et] crystallizes in triclinic system, space group P1̅ with a = 7.8750(16), b = 10.596(2), c = 11.725(12) Å, β = 102.05(3)°, V = 859.5(3) Å3, Dc = 1.363 Mg/m3, Z = 2, F(000) = 368, μ(MoKα) = 0.250 mm-1, R = 0.0738 and wR = 0.1941. Both of the mols. prefer to form crystal packing through C-H···O hydrogen bonds. Compounds I [R1=R2 = H; R3 = Me; R4 = Et] and [R1 = F; R2 = Cl; R3 = Me; R4 = Et] show safener activity on maize against the injury of chlorsulfuron.
Chinese Journal of Structural Chemistry published new progress about 3919-74-2. 3919-74-2 belongs to chlorides-buliding-blocks, auxiliary class Isoxazole,Fluoride,Chloride,Carboxylic acid,Benzene, name is 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, and the molecular formula is C11H7ClFNO3, HPLC of Formula: 3919-74-2.
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