Synthesis and Crystal Structure of (3R,4R)-5-(2,4-Dichlorobenzoyl)-4-(4-nitrophenyl)-6- (phenylamino)-3,4-dihydro-2H-thiopyran-3-carbonitrile
文丽荣;王丽娟;李明
1. 青岛科技大学分子与工程学院2. 青岛科技大学化学与分子工程学院
Synthesis and Crystal Structure of (3R,4R)-5-(2,4-Dichlorobenzoyl)-4-(4-nitrophenyl)-6- (phenylamino)-3,4-dihydro-2H-thiopyran-3-carbonitrile
Wen Li-Rong,Li-Juan WANG,Ming LI
Key Laboratory of Eco-Chemical Engineering, Ministry of Education, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology
The title compound (C25H16Cl2N3O3S), as a thiopyran derivative, has been synthe- sized by the cyclization of an organic intermediate obtained from Baylis-Hillman adducts with a b-aroylthioamideusing copper(I) salt as the catalyst.The crystal belongs to the monoclinic system, space group P21/c with a = 13.668(3), b = 8.4803(17) c = 21.999(4) Å, β = 113.57(3)°, V = 2337.2(10) Å3, Z = 4, Mr= 510.38, Dc = 1.451 g/cm3, μ = 0.401 mm-1, F(000) = 1048, the final R = 0.0487 and wR = 0.1079 for 3678 observed reflections with I > 2σ(I).
Abstract：The title compound (C25H16Cl2N3O3S), as a thiopyran derivative, has been synthe- sized by the cyclization of an organic intermediate obtained from Baylis-Hillman adducts with a b-aroylthioamideusing copper(I) salt as the catalyst.The crystal belongs to the monoclinic system, space group P21/c with a = 13.668(3), b = 8.4803(17) c = 21.999(4) Å, β = 113.57(3)°, V = 2337.2(10) Å3, Z = 4, Mr= 510.38, Dc = 1.451 g/cm3, μ = 0.401 mm-1, F(000) = 1048, the final R = 0.0487 and wR = 0.1079 for 3678 observed reflections with I > 2σ(I).
2011, Vol. 30 
